(phenylmethyl) N-[5-cyclohexyl-9-methyl-1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[5-cyclohexyl-9-methyl-1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[5-cyclohexyl-9-methyl-1-[2-(o-tolyl)-2-oxo-ethyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[5-cyclohexyl-9-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-cyclohexyl-9-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[5-cyclohexyl-2-keto-1-[2-keto-2-(o-tolyl)ethyl]-9-methyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C33H35N3O4 MolecularWeight: 537.6487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C(=O)C(N=C(C3=C2C(=CC=C3)C)C4CCCCC4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C(=O)C(N=C(C3=C2C(=CC=C3)C)C4CCCCC4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H35N3O4/c1-22-12-9-10-18-26(22)28(37)20-36-30-23(2)13-11-19-27(30)29(25-16-7-4-8-17-25)34-31(32(36)38)35-33(39)40-21-24-14-5-3-6-15-24/h3,5-6,9-15,18-19,25,31H,4,7-8,16-17,20-21H2,1-2H3,(H,35,39)