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

Systemtic Name: 1-[(3S)-3-(4-phenoxyphenyl)carbonylpiperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-[(3S)-3-(4-phenoxybenzoyl)-1-piperidyl]-4-(1,2,4-triazol-1-yl)butan-1-one CAS Name: 1-[(3S)-3-[oxo-(4-phenoxyphenyl)methyl]-1-piperidinyl]-4-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 1-[(3S)-3-(4-phenoxybenzoyl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-[(3S)-3-(4-phenoxybenzoyl)piperidino]-4-(1,2,4-triazol-1-yl)butan-1-one Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCCN2C=NC=N2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCCN2C=NC=N2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c29-23(9-5-15-28-18-25-17-26-28)27-14-4-6-20(16-27)24(30)19-10-12-22(13-11-19)31-21-7-2-1-3-8-21/h1-3,7-8,10-13,17-18,20H,4-6,9,14-16H2/t20-/m0/s1