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

Systemtic Name: ethyl 4-[(1-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoate Openeye Name: ethyl 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoate CAS Name: 4-[[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)amino]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoate Traditional Name: 4-[(2-keto-1-methyl-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]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)C(=O)NC2=CC3=C(C=C2)N(C(=O)CCC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C(=O)CCC3)C

InChI

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