6-(azepan-1-yl)-7H-benzo[d][1,3]benzodiazepine; ethanol

Systemtic Name: 6-(azepan-1-yl)-7H-benzo[d][1,3]benzodiazepine; ethanol Openeye Name: 6-(azepan-1-yl)-7H-benzo[d][1,3]benzodiazepine; ethanol CAS Name: 6-(1-azepanyl)-7H-benzo[d][1,3]benzodiazepine; ethanol IUPAC Name: 6-(azepan-1-yl)-7H-benzo[d][1,3]benzodiazepine; ethanol Traditional Name: 6-(azepan-1-yl)-7H-benzo[d][1,3]benzodiazepine; ethanol Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1CCCN(CC1)C2=NC3=CC=CC=C3C4=CC=CC=C4N2

Isomeric SMILES

CCO.C1CCCN(CC1)C2=NC3=CC=CC=C3C4=CC=CC=C4N2

InChI

InChI=1S/C19H21N3.C2H6O/c1-2-8-14-22(13-7-1)19-20-17-11-5-3-9-15(17)16-10-4-6-12-18(16)21-19;1-2-3/h3-6,9-12H,1-2,7-8,13-14H2,(H,20,21);3H,2H2,1H3