[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-pyrazin-2-yl-methanone

Systemtic Name: [(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-pyrazin-2-yl-methanone Openeye Name: [(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-piperidyl]-pyrazin-2-yl-methanone CAS Name: [(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-piperidinyl]-(2-pyrazinyl)methanone IUPAC Name: [(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone Traditional Name: [(3S)-3-[homoveratryl(methyl)amino]piperidino]-pyrazin-2-yl-methanone Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)C3=NC=CN=C3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C21H28N4O3/c1-24(12-8-16-6-7-19(27-2)20(13-16)28-3)17-5-4-11-25(15-17)21(26)18-14-22-9-10-23-18/h6-7,9-10,13-14,17H,4-5,8,11-12,15H2,1-3H3/t17-/m0/s1