1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-3-pyridin-4-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-3-pyridin-4-yl-propan-1-one Openeye Name: 1-[(3S)-3-[2-(o-tolyl)ethyl]-1-piperidyl]-3-(4-pyridyl)propan-1-one CAS Name: 1-[(3S)-3-[2-(2-methylphenyl)ethyl]-1-piperidinyl]-3-pyridin-4-yl-1-propanone IUPAC Name: 1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one Traditional Name: 1-[(3S)-3-[2-(o-tolyl)ethyl]piperidino]-3-(4-pyridyl)propan-1-one Formula: C22H28N2O MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC2CCCN(C2)C(=O)CCC3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC=C1CC[C@H]2CCCN(C2)C(=O)CCC3=CC=NC=C3

InChI

InChI=1S/C22H28N2O/c1-18-5-2-3-7-21(18)10-8-20-6-4-16-24(17-20)22(25)11-9-19-12-14-23-15-13-19/h2-3,5,7,12-15,20H,4,6,8-11,16-17H2,1H3/t20-/m1/s1