tert-butyl N-[1-cyclohexylcarbonyl-7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-cyclohexylcarbonyl-7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-(cyclohexanecarbonyl)-7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[1-[cyclohexyl(oxo)methyl]-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(cyclohexanecarbonyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(cyclohexanecarbonyl)-4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C31H39N3O5 MolecularWeight: 533.65846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)OC(C)(C)C)C(=O)C4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)OC(C)(C)C)C(=O)C4CCCCC4

InChI

InChI=1S/C31H39N3O5/c1-20-15-16-25-26(17-20)34(19-27(35)23-14-10-9-11-21(23)2)29(37)24(32-30(38)39-31(3,4)5)18-33(25)28(36)22-12-7-6-8-13-22/h9-11,14-17,22,24H,6-8,12-13,18-19H2,1-5H3,(H,32,38)