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

Systemtic Name: methyl 4-[(7-aminocarbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(7-carbamoyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)methyl]benzoate CAS Name: 4-[(7-carbamoyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(7-carbamoyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)methyl]benzoate Traditional Name: 4-[(7-carbamoyl-4-keto-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)methyl]benzoic acid methyl ester Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(=O)NC3=C2C=CC(=C3)C(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(=O)NC3=C2C=CC(=C3)C(=O)N

InChI

InChI=1S/C19H19N3O4/c1-26-19(25)13-4-2-12(3-5-13)11-22-9-8-17(23)21-15-10-14(18(20)24)6-7-16(15)22/h2-7,10H,8-9,11H2,1H3,(H2,20,24)(H,21,23)