5-cyclohexyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-[2-(3-methylphenyl)-2-oxidanylidene-ethyl]-1,3,4-benzotriazepin-2-one

Systemtic Name: 5-cyclohexyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-[2-(3-methylphenyl)-2-oxidanylidene-ethyl]-1,3,4-benzotriazepin-2-one Openeye Name: 5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-3-[2-(m-tolyl)-2-oxo-ethyl]-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-3-[2-(3-methylphenyl)-2-oxoethyl]-1,3,4-benzotriazepin-2-one IUPAC Name: 5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-3-[2-(3-methylphenyl)-2-oxoethyl]-1,3,4-benzotriazepin-2-one Traditional Name: 5-cyclohexyl-1-(2-keto-3,3-dimethyl-butyl)-3-[2-keto-2-(m-tolyl)ethyl]-1,3,4-benzotriazepin-2-one Formula: C29H35N3O3 MolecularWeight: 473.6065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)CN2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCC4)CC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)CN2C(=O)N(C3=CC=CC=C3C(=N2)C4CCCCC4)CC(=O)C(C)(C)C

InChI

InChI=1S/C29H35N3O3/c1-20-11-10-14-22(17-20)25(33)18-32-28(35)31(19-26(34)29(2,3)4)24-16-9-8-15-23(24)27(30-32)21-12-6-5-7-13-21/h8-11,14-17,21H,5-7,12-13,18-19H2,1-4H3