1-(1-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)-7-phenyl-heptan-1-one

Systemtic Name: 1-(1-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)-7-phenyl-heptan-1-one Openeye Name: 1-[1-methyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]-7-phenyl-heptan-1-one CAS Name: 1-[1-methyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]-7-phenyl-1-heptanone IUPAC Name: 1-(1-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)-7-phenylheptan-1-one Traditional Name: 1-[1-methyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]-7-phenyl-heptan-1-one Formula: C21H24N4O MolecularWeight: 348.44146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)C(=O)CCCCCCC2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

CN1C(=NC(=N1)C(=O)CCCCCCC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C21H24N4O/c1-25-21(18-14-9-10-16-22-18)23-20(24-25)19(26)15-8-3-2-5-11-17-12-6-4-7-13-17/h4,6-7,9-10,12-14,16H,2-3,5,8,11,15H2,1H3