methyl 4-[(7-aminocarbonyl-4-oxidanylidene-3-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(7-aminocarbonyl-4-oxidanylidene-3-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(7-carbamoyl-4-oxo-3-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)methyl]benzoate CAS Name: 4-[(7-carbamoyl-4-oxo-3-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(7-carbamoyl-4-oxo-3-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)methyl]benzoate Traditional Name: 4-[(7-carbamoyl-4-keto-3-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)methyl]benzoic acid methyl ester Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CC(C(=O)NC3=C2C=CC(=C3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CC(C(=O)NC3=C2C=CC(=C3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4/c1-32-25(31)18-9-7-16(8-10-18)14-28-15-20(17-5-3-2-4-6-17)24(30)27-21-13-19(23(26)29)11-12-22(21)28/h2-13,20H,14-15H2,1H3,(H2,26,29)(H,27,30)