(phenylmethyl) N-[1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-[2-(o-tolyl)-2-oxo-ethyl]-2-oxo-5-(4-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[2-keto-1-[2-keto-2-(o-tolyl)ethyl]-5-(4-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C31H26N4O4 MolecularWeight: 518.56254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OCC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OCC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C31H26N4O4/c1-21-9-5-6-12-24(21)27(36)19-35-26-14-8-7-13-25(26)28(23-15-17-32-18-16-23)33-29(30(35)37)34-31(38)39-20-22-10-3-2-4-11-22/h2-18,29H,19-20H2,1H3,(H,34,38)