1-[3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone Openeye Name: 1-[3-(3,4-dimethoxybenzoyl)-1-piperidyl]-2-(1,2,4-triazol-1-yl)ethanone CAS Name: 1-[3-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperidinyl]-2-(1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-[3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone Traditional Name: 2-(1,2,4-triazol-1-yl)-1-(3-veratroylpiperidino)ethanone Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)C(=O)CN3C=NC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2CCCN(C2)C(=O)CN3C=NC=N3)OC

InChI

InChI=1S/C18H22N4O4/c1-25-15-6-5-13(8-16(15)26-2)18(24)14-4-3-7-21(9-14)17(23)10-22-12-19-11-20-22/h5-6,8,11-12,14H,3-4,7,9-10H2,1-2H3