methyl 2-[2-(2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O4/c1-32-25(31)18-11-5-7-13-20(18)27-22(29)16-28-21-14-8-6-12-19(21)24(26-15-23(28)30)17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,27,29)