1-(4-methyl-1,2-dioxan-4-yl)-3-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)propan-1-one

Systemtic Name: 1-(4-methyl-1,2-dioxan-4-yl)-3-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 1-(4-methyldioxan-4-yl)-3-(p-tolyl)-2-(1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-(4-methyl-4-dioxanyl)-3-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 1-(4-methyldioxan-4-yl)-3-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-(4-methyldioxan-4-yl)-3-(p-tolyl)-2-(1,2,4-triazol-1-yl)propan-1-one Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)C2(CCOOC2)C)N3C=NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(=O)C2(CCOOC2)C)N3C=NC=N3

InChI

InChI=1S/C17H21N3O3/c1-13-3-5-14(6-4-13)9-15(20-12-18-11-19-20)16(21)17(2)7-8-22-23-10-17/h3-6,11-12,15H,7-10H2,1-2H3