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

Systemtic Name: tert-butyl N-[7-methyl-1-(3-methylbut-2-enoyl)-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[7-methyl-1-(3-methylbut-2-enoyl)-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[7-methyl-1-(3-methyl-1-oxobut-2-enyl)-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-[7-methyl-1-(3-methylbut-2-enoyl)-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-1-(3-methylbut-2-enoyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C29H35N3O5 MolecularWeight: 505.6053

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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=C(C)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=C(C)C

InChI

InChI=1S/C29H35N3O5/c1-18(2)14-26(34)31-16-22(30-28(36)37-29(5,6)7)27(35)32(24-15-19(3)12-13-23(24)31)17-25(33)21-11-9-8-10-20(21)4/h8-15,22H,16-17H2,1-7H3,(H,30,36)