3-(1-but-3-ynyl-4-phenyl-piperidin-4-yl)-N-methyl-aniline

Systemtic Name: 3-(1-but-3-ynyl-4-phenyl-piperidin-4-yl)-N-methyl-aniline Openeye Name: 3-(1-but-3-ynyl-4-phenyl-4-piperidyl)-N-methyl-aniline CAS Name: 3-(1-but-3-ynyl-4-phenyl-4-piperidinyl)-N-methylaniline IUPAC Name: 3-(1-but-3-ynyl-4-phenylpiperidin-4-yl)-N-methylaniline Traditional Name: [3-(1-but-3-ynyl-4-phenyl-4-piperidyl)phenyl]-methyl-amine Formula: C22H26N2 MolecularWeight: 318.45524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC(=C1)C2(CCN(CC2)CCC#C)C3=CC=CC=C3

Isomeric SMILES

CNC1=CC=CC(=C1)C2(CCN(CC2)CCC#C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2/c1-3-4-15-24-16-13-22(14-17-24,19-9-6-5-7-10-19)20-11-8-12-21(18-20)23-2/h1,5-12,18,23H,4,13-17H2,2H3