IUPAC name
1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3,4-diethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES
CCN1C(=O)N(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)N=C1CC
Compound class
Nervous System; Antidepressants; Psychoanaleptics; Selective Serotonin Reuptake Inhibitors;
Therapeutic area
Common name
Etoperidone
IUPAC name
1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3,4-diethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES
CCN1C(=O)N(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)N=C1CC
INCHI
InChI=1S/C19H28ClN5O/c1-3-18-21-25(19(26)24(18)4-2)10-6-9-22-11-13-23(14-12-22)17-8-5-7-16(20)15-17/h5,7-8,15H,3-4,6,9-14H2,1-2H3
FORMULA
C19H28ClN5O
Common name
Etoperidone
IUPAC name
1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3,4-diethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
Molecular weight
377.912
clogP
2.532
clogS
-4.167
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
46.3
Number of Rings
3
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF01498 | 1-(3-chlorophenyl)piperazine |
|
N1CCN(CC1)c2cc(ccc2)Cl | 0.0014 |
| FDBF01499 | 1-(3-chlorophenyl)-4-methyl-piperazine |
|
CN1CCN(CC1)c2cc(ccc2)Cl | 0.0014 |
| FDBF01500 | 1-(3-chlorophenyl)-4-ethyl-piperazine |
|
CCN1CCN(CC1)c2cc(ccc2)Cl | 0.0014 |
| FDBF01501 | 1-(3-chlorophenyl)-4-propyl-piperazine |
|
CCCN1CCN(CC1)c2cc(ccc2)Cl | 0.0010 |
| FDBF02593 | 2-ethyl-4H-1,2,4-triazol-3-one |
|
O=c1n(nc[nH]1)CC | 0.0010 |
| FDBF02594 | 5-ethyl-2-methyl-4H-1,2,4-triazol-3-one |
|
O=c1n(nc([nH]1)CC)C | 0.0007 |
| FDBF02597 | 2-propyl-4H-1,2,4-triazol-3-one |
|
O=c1n(nc[nH]1)CCC | 0.0010 |
| FDBF02599 | 3,4-diethyl-1H-1,2,4-triazol-5-one |
|
CCn1c(=O)[nH]nc1CC | 0.0007 |
18 ,
2
