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

Systemtic Name: methyl 4-[(7-aminocarbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(7-carbamoyl-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)methyl]benzoate CAS Name: 4-[(7-carbamoyl-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(7-carbamoyl-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)methyl]benzoate Traditional Name: 4-[(7-carbamoyl-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)methyl]benzoic acid methyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(N1CC3=CC=C(C=C3)C(=O)OC)C=CC(=C2)C(=O)N

Isomeric SMILES

CC1CC(=O)NC2=C(N1CC3=CC=C(C=C3)C(=O)OC)C=CC(=C2)C(=O)N

InChI

InChI=1S/C20H21N3O4/c1-12-9-18(24)22-16-10-15(19(21)25)7-8-17(16)23(12)11-13-3-5-14(6-4-13)20(26)27-2/h3-8,10,12H,9,11H2,1-2H3,(H2,21,25)(H,22,24)