2-[5-(3-ethynylphenyl)-2-oxidanylidene-azepan-1-yl]butanamide

Systemtic Name: 2-[5-(3-ethynylphenyl)-2-oxidanylidene-azepan-1-yl]butanamide Openeye Name: 2-[5-(3-ethynylphenyl)-2-oxo-azepan-1-yl]butanamide CAS Name: 2-[5-(3-ethynylphenyl)-2-oxo-1-azepanyl]butanamide IUPAC Name: 2-[5-(3-ethynylphenyl)-2-oxoazepan-1-yl]butanamide Traditional Name: 2-[5-(3-ethynylphenyl)-2-keto-azepan-1-yl]butyramide Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)N1CCC(CCC1=O)C2=CC=CC(=C2)C#C

Isomeric SMILES

CCC(C(=O)N)N1CCC(CCC1=O)C2=CC=CC(=C2)C#C

InChI

InChI=1S/C18H22N2O2/c1-3-13-6-5-7-15(12-13)14-8-9-17(21)20(11-10-14)16(4-2)18(19)22/h1,5-7,12,14,16H,4,8-11H2,2H3,(H2,19,22)