7-chloranyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3H-1,5-benzodiazepine

Systemtic Name: 7-chloranyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3H-1,5-benzodiazepine Openeye Name: 7-chloro-4-[4-[(E)-cinnamyl]piperazin-1-yl]-2-methyl-3H-1,5-benzodiazepine CAS Name: 7-chloro-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-3H-1,5-benzodiazepine IUPAC Name: 7-chloro-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3H-1,5-benzodiazepine Traditional Name: 7-chloro-4-[4-[(E)-cinnamyl]piperazino]-2-methyl-3H-1,5-benzodiazepine Formula: C23H25ClN4 MolecularWeight: 392.9244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Cl)N=C(C1)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Cl)N=C(C1)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H25ClN4/c1-18-16-23(26-22-17-20(24)9-10-21(22)25-18)28-14-12-27(13-15-28)11-5-8-19-6-3-2-4-7-19/h2-10,17H,11-16H2,1H3/b8-5+