10-(1,3-benzodioxol-5-ylmethyl)-8-chloranyl-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine

Systemtic Name: 10-(1,3-benzodioxol-5-ylmethyl)-8-chloranyl-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine Openeye Name: 10-(1,3-benzodioxol-5-ylmethyl)-8-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine CAS Name: 10-(1,3-benzodioxol-5-ylmethyl)-8-chloro-6-(1-piperazinyl)-11H-benzo[b][1,4]benzodiazepine IUPAC Name: 10-(1,3-benzodioxol-5-ylmethyl)-8-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine Traditional Name: 8-chloro-6-piperazino-10-piperonyl-11H-benzo[b][1,4]benzodiazepine Formula: C25H23ClN4O2 MolecularWeight: 446.92872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=CC=CC=C3NC4=C(C=C(C=C42)Cl)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3NC4=C(C=C(C=C42)Cl)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H23ClN4O2/c26-18-13-17(11-16-5-6-22-23(12-16)32-15-31-22)24-19(14-18)25(30-9-7-27-8-10-30)29-21-4-2-1-3-20(21)28-24/h1-6,12-14,27-28H,7-11,15H2