4-(azepan-1-yl)-N-(4-chlorophenyl)-2-cyano-4-oxidanylidene-butanamide

Systemtic Name: 4-(azepan-1-yl)-N-(4-chlorophenyl)-2-cyano-4-oxidanylidene-butanamide Openeye Name: 4-(azepan-1-yl)-N-(4-chlorophenyl)-2-cyano-4-oxo-butanamide CAS Name: 4-(1-azepanyl)-N-(4-chlorophenyl)-2-cyano-4-oxobutanamide IUPAC Name: 4-(azepan-1-yl)-N-(4-chlorophenyl)-2-cyano-4-oxobutanamide Traditional Name: 4-(azepan-1-yl)-N-(4-chlorophenyl)-2-cyano-4-keto-butyramide Formula: C17H20ClN3O2 MolecularWeight: 333.8126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC(C#N)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CC(C#N)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H20ClN3O2/c18-14-5-7-15(8-6-14)20-17(23)13(12-19)11-16(22)21-9-3-1-2-4-10-21/h5-8,13H,1-4,9-11H2,(H,20,23)