N-(3-ethynylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide Openeye Name: N-(3-ethynylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide CAS Name: N-(3-ethynylphenyl)-1-(2-methyl-1-oxopropyl)-4-piperidinecarboxamide IUPAC Name: N-(3-ethynylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide Traditional Name: N-(3-ethynylphenyl)-1-isobutyryl-isonipecotamide Formula: C18H22N2O2 MolecularWeight: 298.37948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C#C

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C#C

InChI

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