N-(3-ethynylphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide Openeye Name: N-(3-ethynylphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide CAS Name: N-(3-ethynylphenyl)-1-(2-methyl-1-oxopropyl)-3-piperidinecarboxamide IUPAC Name: N-(3-ethynylphenyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide Traditional Name: N-(3-ethynylphenyl)-1-isobutyryl-nipecotamide Formula: C18H22N2O2 MolecularWeight: 298.37948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCC(C1)C(=O)NC2=CC=CC(=C2)C#C

Isomeric SMILES

CC(C)C(=O)N1CCCC(C1)C(=O)NC2=CC=CC(=C2)C#C

InChI

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