Molecule ID: 2170

IUPAC Name: 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine

Description: The molecule is a dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position. It has a role as an antidepressant, an adrenergic uptake inhibitor, a dopaminergic antagonist and a serotonin uptake inhibitor.

SMILES: Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2

SELFIES: [Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][C]

InChI: InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2

Molecular Properties:
- Polar Surface Area: 36.9 Ų
- LogP: 2.6