3-methyl-1-[(3S)-3-phenylazanylpiperidin-1-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[(3S)-3-phenylazanylpiperidin-1-yl]but-2-en-1-one Openeye Name: 1-[(3S)-3-anilino-1-piperidyl]-3-methyl-but-2-en-1-one CAS Name: 1-[(3S)-3-anilino-1-piperidinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[(3S)-3-anilinopiperidin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[(3S)-3-anilinopiperidino]-3-methyl-but-2-en-1-one Formula: C16H22N2O MolecularWeight: 258.35868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=CC(=O)N1CCC[C@@H](C1)NC2=CC=CC=C2)C

InChI

InChI=1S/C16H22N2O/c1-13(2)11-16(19)18-10-6-9-15(12-18)17-14-7-4-3-5-8-14/h3-5,7-8,11,15,17H,6,9-10,12H2,1-2H3/t15-/m0/s1