[3-[3-(2,4-dichlorophenyl)propanoylamino]-1-methyl-2-oxidanylidene-5H-1-benzazepin-5-yl] ethanoate

Systemtic Name: [3-[3-(2,4-dichlorophenyl)propanoylamino]-1-methyl-2-oxidanylidene-5H-1-benzazepin-5-yl] ethanoate Openeye Name: [3-[3-(2,4-dichlorophenyl)propanoylamino]-1-methyl-2-oxo-5H-1-benzazepin-5-yl] acetate CAS Name: acetic acid [3-[[3-(2,4-dichlorophenyl)-1-oxopropyl]amino]-1-methyl-2-oxo-5H-1-benzazepin-5-yl] ester IUPAC Name: [3-[3-(2,4-dichlorophenyl)propanoylamino]-1-methyl-2-oxo-5H-1-benzazepin-5-yl] acetate Traditional Name: acetic acid [3-[3-(2,4-dichlorophenyl)propanoylamino]-2-keto-1-methyl-5H-1-benzazepin-5-yl] ester Formula: C22H20Cl2N2O4 MolecularWeight: 447.3112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C=C(C(=O)N(C2=CC=CC=C12)C)NC(=O)CCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(=O)OC1C=C(C(=O)N(C2=CC=CC=C12)C)NC(=O)CCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H20Cl2N2O4/c1-13(27)30-20-12-18(22(29)26(2)19-6-4-3-5-16(19)20)25-21(28)10-8-14-7-9-15(23)11-17(14)24/h3-7,9,11-12,20H,8,10H2,1-2H3,(H,25,28)