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

Systemtic Name: tert-butyl N-[7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-pyridin-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-1-(pyridine-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-[oxo(2-pyridinyl)methyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-(pyridine-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-1-picolinoyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C30H32N4O5 MolecularWeight: 528.59888

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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)C4=CC=CC=N4

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)C4=CC=CC=N4

InChI

InChI=1S/C30H32N4O5/c1-19-13-14-24-25(16-19)34(18-26(35)21-11-7-6-10-20(21)2)28(37)23(32-29(38)39-30(3,4)5)17-33(24)27(36)22-12-8-9-15-31-22/h6-16,23H,17-18H2,1-5H3,(H,32,38)