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

Systemtic Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-3-pyrazin-2-yl-propan-1-one Openeye Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]-1-piperidyl]-3-pyrazin-2-yl-propan-1-one CAS Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]-1-piperidinyl]-3-(2-pyrazinyl)-1-propanone IUPAC Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one Traditional Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidino]-3-pyrazin-2-yl-propan-1-one Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC2CCCN(C2)C(=O)CCC3=NC=CN=C3

Isomeric SMILES

COC1=CC=CC(=C1)CC[C@H]2CCCN(C2)C(=O)CCC3=NC=CN=C3

InChI

InChI=1S/C21H27N3O2/c1-26-20-6-2-4-17(14-20)7-8-18-5-3-13-24(16-18)21(25)10-9-19-15-22-11-12-23-19/h2,4,6,11-12,14-15,18H,3,5,7-10,13,16H2,1H3/t18-/m1/s1