3-chloranyl-6-piperazin-1-yl-11-prop-2-enyl-benzo[b][1,4]benzodiazepine

Systemtic Name: 3-chloranyl-6-piperazin-1-yl-11-prop-2-enyl-benzo[b][1,4]benzodiazepine Openeye Name: 11-allyl-3-chloro-6-piperazin-1-yl-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-(1-piperazinyl)-11-prop-2-enylbenzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-piperazin-1-yl-11-prop-2-enylbenzo[b][1,4]benzodiazepine Traditional Name: 11-allyl-3-chloro-6-piperazino-benzo[b][1,4]benzodiazepine Formula: C20H21ClN4 MolecularWeight: 352.86054

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)Cl)N=C(C3=CC=CC=C31)N4CCNCC4

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)Cl)N=C(C3=CC=CC=C31)N4CCNCC4

InChI

InChI=1S/C20H21ClN4/c1-2-11-25-18-6-4-3-5-16(18)20(24-12-9-22-10-13-24)23-17-14-15(21)7-8-19(17)25/h2-8,14,22H,1,9-13H2