N-cyclohexyl-4-[(4-methylphenyl)methyl]-5-oxidanylidene-2-phenyl-3H-1,4-benzodiazepine-3-carboxamide

Systemtic Name: N-cyclohexyl-4-[(4-methylphenyl)methyl]-5-oxidanylidene-2-phenyl-3H-1,4-benzodiazepine-3-carboxamide Openeye Name: N-cyclohexyl-5-oxo-2-phenyl-4-(p-tolylmethyl)-3H-1,4-benzodiazepine-3-carboxamide CAS Name: N-cyclohexyl-4-[(4-methylphenyl)methyl]-5-oxo-2-phenyl-3H-1,4-benzodiazepine-3-carboxamide IUPAC Name: N-cyclohexyl-4-[(4-methylphenyl)methyl]-5-oxo-2-phenyl-3H-1,4-benzodiazepine-3-carboxamide Traditional Name: N-cyclohexyl-5-keto-4-(4-methylbenzyl)-2-phenyl-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)CN2C(C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)NC5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)NC5CCCCC5

InChI

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