ethyl 4-[(1-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-7-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(1-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-7-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-7-carbonyl)amino]benzoate CAS Name: 4-[[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-7-carbonyl)amino]benzoate Traditional Name: 4-[(2-keto-1-methyl-4,5-dihydro-3H-1-benzazepine-7-carbonyl)amino]benzoic acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(C(=O)CCC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(C(=O)CCC3)C

InChI

InChI=1S/C21H22N2O4/c1-3-27-21(26)14-7-10-17(11-8-14)22-20(25)16-9-12-18-15(13-16)5-4-6-19(24)23(18)2/h7-13H,3-6H2,1-2H3,(H,22,25)