5-tert-butyl-N-(4-methylphenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carboxamide

Systemtic Name: 5-tert-butyl-N-(4-methylphenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carboxamide Openeye Name: 5-tert-butyl-N-(p-tolyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carboxamide CAS Name: 5-tert-butyl-N-(4-methylphenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 5-tert-butyl-N-(4-methylphenyl)-4-(1,2,4-triazol-1-yl)-3,4-dihydropyrazole-2-carboxamide Traditional Name: 3-tert-butyl-N-(p-tolyl)-4-(1,2,4-triazol-1-yl)-2-pyrazoline-1-carboxamide Formula: C17H22N6O MolecularWeight: 326.39618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CC(C(=N2)C(C)(C)C)N3C=NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CC(C(=N2)C(C)(C)C)N3C=NC=N3

InChI

InChI=1S/C17H22N6O/c1-12-5-7-13(8-6-12)20-16(24)22-9-14(23-11-18-10-19-23)15(21-22)17(2,3)4/h5-8,10-11,14H,9H2,1-4H3,(H,20,24)