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

Systemtic Name: 1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-3-pyrazin-2-yl-propan-1-one Openeye Name: 1-[(3S)-3-[2-(o-tolyl)ethyl]-1-piperidyl]-3-pyrazin-2-yl-propan-1-one CAS Name: 1-[(3S)-3-[2-(2-methylphenyl)ethyl]-1-piperidinyl]-3-(2-pyrazinyl)-1-propanone IUPAC Name: 1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one Traditional Name: 1-[(3S)-3-[2-(o-tolyl)ethyl]piperidino]-3-pyrazin-2-yl-propan-1-one Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c1-17-5-2-3-7-19(17)9-8-18-6-4-14-24(16-18)21(25)11-10-20-15-22-12-13-23-20/h2-3,5,7,12-13,15,18H,4,6,8-11,14,16H2,1H3/t18-/m1/s1