(phenylmethyl) 2-(3-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(3-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoate Openeye Name: benzyl 2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate CAS Name: 2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate Traditional Name: 2-(2-keto-3-methyl-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid benzyl ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3/c1-18-25(29)27(16-23(28)30-17-19-10-4-2-5-11-19)22-15-9-8-14-21(22)24(26-18)20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3