tert-butyl N-[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-[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-[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-[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-[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]-1-picolinoyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)OC(C)(C)C)C(=O)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)OC(C)(C)C)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C29H30N4O5/c1-19-11-5-6-12-20(19)25(34)18-33-24-15-8-7-14-23(24)32(26(35)21-13-9-10-16-30-21)17-22(27(33)36)31-28(37)38-29(2,3)4/h5-16,22H,17-18H2,1-4H3,(H,31,37)