N-(3-ethynylphenyl)-1-(4-methylphenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-1-(4-methylphenyl)carbonyl-piperidine-3-carboxamide Openeye Name: N-(3-ethynylphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide CAS Name: N-(3-ethynylphenyl)-1-[(4-methylphenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-(3-ethynylphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide Traditional Name: N-(3-ethynylphenyl)-1-p-toluoyl-nipecotamide Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C22H22N2O2/c1-3-17-6-4-8-20(14-17)23-21(25)19-7-5-13-24(15-19)22(26)18-11-9-16(2)10-12-18/h1,4,6,8-12,14,19H,5,7,13,15H2,2H3,(H,23,25)