N-(5-cyano-1-methyl-2-oxidanylidene-3H-1-benzazepin-3-yl)-3-(2,4-dichlorophenyl)propanamide

Systemtic Name: N-(5-cyano-1-methyl-2-oxidanylidene-3H-1-benzazepin-3-yl)-3-(2,4-dichlorophenyl)propanamide Openeye Name: N-(5-cyano-1-methyl-2-oxo-3H-1-benzazepin-3-yl)-3-(2,4-dichlorophenyl)propanamide CAS Name: N-(5-cyano-1-methyl-2-oxo-3H-1-benzazepin-3-yl)-3-(2,4-dichlorophenyl)propanamide IUPAC Name: N-(5-cyano-1-methyl-2-oxo-3H-1-benzazepin-3-yl)-3-(2,4-dichlorophenyl)propanamide Traditional Name: N-(5-cyano-2-keto-1-methyl-3H-1-benzazepin-3-yl)-3-(2,4-dichlorophenyl)propionamide Formula: C21H17Cl2N3O2 MolecularWeight: 414.28458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC(C1=O)NC(=O)CCC3=C(C=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=CC(C1=O)NC(=O)CCC3=C(C=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C21H17Cl2N3O2/c1-26-19-5-3-2-4-16(19)14(12-24)10-18(21(26)28)25-20(27)9-7-13-6-8-15(22)11-17(13)23/h2-6,8,10-11,18H,7,9H2,1H3,(H,25,27)