tert-butyl N-[1-ethanoyl-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-ethanoyl-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-acetyl-7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[1-acetyl-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-acetyl-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-acetyl-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: C26H31N3O5 MolecularWeight: 465.54144

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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)C

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)C

InChI

InChI=1S/C26H31N3O5/c1-16-11-12-21-22(13-16)29(15-23(31)19-10-8-7-9-17(19)2)24(32)20(14-28(21)18(3)30)27-25(33)34-26(4,5)6/h7-13,20H,14-15H2,1-6H3,(H,27,33)