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

Systemtic Name: 7-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)heptan-1-one Openeye Name: 7-phenyl-1-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]heptan-1-one CAS Name: 7-phenyl-1-[3-(2-pyridinyl)-1H-1,2,4-triazol-5-yl]-1-heptanone IUPAC Name: 7-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)heptan-1-one Traditional Name: 7-phenyl-1-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]heptan-1-one Formula: C20H22N4O MolecularWeight: 334.41488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCC(=O)C2=NC(=NN2)C3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCC(=O)C2=NC(=NN2)C3=CC=CC=N3

InChI

InChI=1S/C20H22N4O/c25-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-22-19(23-24-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2,(H,22,23,24)