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

Systemtic Name: 1-[(3S)-3-(4-phenoxyphenyl)carbonylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone Openeye Name: 1-[(3S)-3-(4-phenoxybenzoyl)-1-piperidyl]-2-(1,2,4-triazol-1-yl)ethanone CAS Name: 1-[(3S)-3-[oxo-(4-phenoxyphenyl)methyl]-1-piperidinyl]-2-(1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-[(3S)-3-(4-phenoxybenzoyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone Traditional Name: 1-[(3S)-3-(4-phenoxybenzoyl)piperidino]-2-(1,2,4-triazol-1-yl)ethanone Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C=NC=N2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CN2C=NC=N2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3/c27-21(14-26-16-23-15-24-26)25-12-4-5-18(13-25)22(28)17-8-10-20(11-9-17)29-19-6-2-1-3-7-19/h1-3,6-11,15-16,18H,4-5,12-14H2/t18-/m0/s1