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

Systemtic Name: [3-[3-(2,4-dichlorophenyl)propanoylamino]-1-methyl-2-oxidanylidene-5H-1-benzazepin-5-yl] benzoate Openeye Name: [3-[3-(2,4-dichlorophenyl)propanoylamino]-1-methyl-2-oxo-5H-1-benzazepin-5-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [3-[3-(2,4-dichlorophenyl)propanoylamino]-2-keto-1-methyl-5H-1-benzazepin-5-yl] ester Formula: C27H22Cl2N2O4 MolecularWeight: 509.38058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(C=C(C1=O)NC(=O)CCC3=C(C=C(C=C3)Cl)Cl)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(C=C(C1=O)NC(=O)CCC3=C(C=C(C=C3)Cl)Cl)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H22Cl2N2O4/c1-31-23-10-6-5-9-20(23)24(35-27(34)18-7-3-2-4-8-18)16-22(26(31)33)30-25(32)14-12-17-11-13-19(28)15-21(17)29/h2-11,13,15-16,24H,12,14H2,1H3,(H,30,32)