1-[(3S)-3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]-3-pyridin-3-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]-3-pyridin-3-yl-propan-1-one Openeye Name: 1-[(3S)-3-(3,4-dimethoxybenzoyl)-1-piperidyl]-3-(3-pyridyl)propan-1-one CAS Name: 1-[(3S)-3-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperidinyl]-3-(3-pyridinyl)-1-propanone IUPAC Name: 1-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one Traditional Name: 3-(3-pyridyl)-1-[(3S)-3-veratroylpiperidino]propan-1-one Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)C(=O)CCC3=CN=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-27-19-9-8-17(13-20(19)28-2)22(26)18-6-4-12-24(15-18)21(25)10-7-16-5-3-11-23-14-16/h3,5,8-9,11,13-14,18H,4,6-7,10,12,15H2,1-2H3/t18-/m0/s1