3-chloranyl-6-(4-cyclopropyl-1,4-diazepan-1-yl)-5H-benzo[b][1,4]benzodiazepine

Systemtic Name: 3-chloranyl-6-(4-cyclopropyl-1,4-diazepan-1-yl)-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-(4-cyclopropyl-1,4-diazepan-1-yl)-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-(4-cyclopropyl-1,4-diazepan-1-yl)-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-(4-cyclopropyl-1,4-diazepan-1-yl)-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-(4-cyclopropyl-1,4-diazepan-1-yl)-5H-benzo[b][1,4]benzodiazepine Formula: C21H23ClN4 MolecularWeight: 366.88712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)C5CC5

Isomeric SMILES

C1CN(CCN(C1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)C5CC5

InChI

InChI=1S/C21H23ClN4/c22-15-6-9-19-20(14-15)24-21(17-4-1-2-5-18(17)23-19)26-11-3-10-25(12-13-26)16-7-8-16/h1-2,4-6,9,14,16,24H,3,7-8,10-13H2