4-methyl-1-phenyl-3-(1,2,4-triazol-1-yl)pentan-1-one

Systemtic Name: 4-methyl-1-phenyl-3-(1,2,4-triazol-1-yl)pentan-1-one Openeye Name: 4-methyl-1-phenyl-3-(1,2,4-triazol-1-yl)pentan-1-one CAS Name: 4-methyl-1-phenyl-3-(1,2,4-triazol-1-yl)-1-pentanone IUPAC Name: 4-methyl-1-phenyl-3-(1,2,4-triazol-1-yl)pentan-1-one Traditional Name: 4-methyl-1-phenyl-3-(1,2,4-triazol-1-yl)pentan-1-one Formula: C14H17N3O MolecularWeight: 243.30428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)C1=CC=CC=C1)N2C=NC=N2

Isomeric SMILES

CC(C)C(CC(=O)C1=CC=CC=C1)N2C=NC=N2

InChI

InChI=1S/C14H17N3O/c1-11(2)13(17-10-15-9-16-17)8-14(18)12-6-4-3-5-7-12/h3-7,9-11,13H,8H2,1-2H3