7-methyl-2-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)-3H-1,5-benzodiazepine

Systemtic Name: 7-methyl-2-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)-3H-1,5-benzodiazepine Openeye Name: 7-methyl-4-(4-phenylpiperazin-1-yl)-2-(p-tolyl)-3H-1,5-benzodiazepine CAS Name: 7-methyl-2-(4-methylphenyl)-4-(4-phenyl-1-piperazinyl)-3H-1,5-benzodiazepine IUPAC Name: 7-methyl-2-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)-3H-1,5-benzodiazepine Traditional Name: 7-methyl-4-(4-phenylpiperazino)-2-(p-tolyl)-3H-1,5-benzodiazepine Formula: C27H28N4 MolecularWeight: 408.53802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)N=C(C2)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)N=C(C2)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4/c1-20-8-11-22(12-9-20)25-19-27(29-26-18-21(2)10-13-24(26)28-25)31-16-14-30(15-17-31)23-6-4-3-5-7-23/h3-13,18H,14-17,19H2,1-2H3