2-[4-(3-chlorophenyl)-2-oxidanylidene-azepan-1-yl]butanamide

Systemtic Name: 2-[4-(3-chlorophenyl)-2-oxidanylidene-azepan-1-yl]butanamide Openeye Name: 2-[4-(3-chlorophenyl)-2-oxo-azepan-1-yl]butanamide CAS Name: 2-[4-(3-chlorophenyl)-2-oxo-1-azepanyl]butanamide IUPAC Name: 2-[4-(3-chlorophenyl)-2-oxoazepan-1-yl]butanamide Traditional Name: 2-[4-(3-chlorophenyl)-2-keto-azepan-1-yl]butyramide Formula: C16H21ClN2O2 MolecularWeight: 308.80314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)N1CCCC(CC1=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCC(C(=O)N)N1CCCC(CC1=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H21ClN2O2/c1-2-14(16(18)21)19-8-4-6-12(10-15(19)20)11-5-3-7-13(17)9-11/h3,5,7,9,12,14H,2,4,6,8,10H2,1H3,(H2,18,21)