N-cyclohexyl-2-(4-methylphenyl)-5-oxidanylidene-4-(phenylmethyl)-3H-1,4-benzodiazepine-3-carboxamide

Systemtic Name: N-cyclohexyl-2-(4-methylphenyl)-5-oxidanylidene-4-(phenylmethyl)-3H-1,4-benzodiazepine-3-carboxamide Openeye Name: 4-benzyl-N-cyclohexyl-5-oxo-2-(p-tolyl)-3H-1,4-benzodiazepine-3-carboxamide CAS Name: N-cyclohexyl-2-(4-methylphenyl)-5-oxo-4-(phenylmethyl)-3H-1,4-benzodiazepine-3-carboxamide IUPAC Name: 4-benzyl-N-cyclohexyl-2-(4-methylphenyl)-5-oxo-3H-1,4-benzodiazepine-3-carboxamide Traditional Name: 4-benzyl-N-cyclohexyl-5-keto-2-(p-tolyl)-3H-1,4-benzodiazepine-3-carboxamide Formula: C30H31N3O2 MolecularWeight: 465.58604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N(C2C(=O)NC4CCCCC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N(C2C(=O)NC4CCCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O2/c1-21-16-18-23(19-17-21)27-28(29(34)31-24-12-6-3-7-13-24)33(20-22-10-4-2-5-11-22)30(35)25-14-8-9-15-26(25)32-27/h2,4-5,8-11,14-19,24,28H,3,6-7,12-13,20H2,1H3,(H,31,34)