1-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-3-pyridin-4-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-3-pyridin-4-yl-propan-1-one Openeye Name: 1-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-piperidyl]-3-(4-pyridyl)propan-1-one CAS Name: 1-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-piperidinyl]-3-pyridin-4-yl-1-propanone IUPAC Name: 1-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one Traditional Name: 1-[(3S)-3-[homoveratryl(methyl)amino]piperidino]-3-(4-pyridyl)propan-1-one Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CCC3=CC=NC=C3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)CCC3=CC=NC=C3

InChI

InChI=1S/C24H33N3O3/c1-26(16-12-20-6-8-22(29-2)23(17-20)30-3)21-5-4-15-27(18-21)24(28)9-7-19-10-13-25-14-11-19/h6,8,10-11,13-14,17,21H,4-5,7,9,12,15-16,18H2,1-3H3/t21-/m0/s1