6-[4-(2-methylpropyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one

Systemtic Name: 6-[4-(2-methylpropyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one Openeye Name: 6-(4-isobutylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one CAS Name: 6-[4-(2-methylpropyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one IUPAC Name: 6-[4-(2-methylpropyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one Traditional Name: 6-(4-isobutylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NN(C(=O)CC2)CN3C=NC=N3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NN(C(=O)CC2)CN3C=NC=N3

InChI

InChI=1S/C17H21N5O/c1-13(2)9-14-3-5-15(6-4-14)16-7-8-17(23)22(20-16)12-21-11-18-10-19-21/h3-6,10-11,13H,7-9,12H2,1-2H3