3-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine

Systemtic Name: 3-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-[4-[(E)-cinnamyl]piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-[4-[(E)-cinnamyl]piperazino]-5H-benzo[b][1,4]benzodiazepine Formula: C26H25ClN4 MolecularWeight: 428.9565

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl

InChI

InChI=1S/C26H25ClN4/c27-21-12-13-24-25(19-21)29-26(22-10-4-5-11-23(22)28-24)31-17-15-30(16-18-31)14-6-9-20-7-2-1-3-8-20/h1-13,19,29H,14-18H2/b9-6+