1-[(3S)-3-(4-methoxy-2-methyl-phenyl)carbonylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-[(3S)-3-(4-methoxy-2-methyl-phenyl)carbonylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone Openeye Name: 1-[(3S)-3-(4-methoxy-2-methyl-benzoyl)-1-piperidyl]-2-(1,2,4-triazol-1-yl)ethanone CAS Name: 1-[(3S)-3-[(4-methoxy-2-methylphenyl)-oxomethyl]-1-piperidinyl]-2-(1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-[(3S)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone Traditional Name: 1-[(3S)-3-(4-methoxy-2-methyl-benzoyl)piperidino]-2-(1,2,4-triazol-1-yl)ethanone Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C(=O)C2CCCN(C2)C(=O)CN3C=NC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C(=O)[C@H]2CCCN(C2)C(=O)CN3C=NC=N3

InChI

InChI=1S/C18H22N4O3/c1-13-8-15(25-2)5-6-16(13)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/t14-/m0/s1