5-methyl-3-(2-methylpropyl)-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

Systemtic Name: 5-methyl-3-(2-methylpropyl)-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide Openeye Name: 3-isobutyl-5-methyl-1-phenyl-N-(4-pyridylmethyl)pyrazole-4-carboxamide CAS Name: 5-methyl-3-(2-methylpropyl)-1-phenyl-N-(pyridin-4-ylmethyl)-4-pyrazolecarboxamide IUPAC Name: 5-methyl-3-(2-methylpropyl)-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide Traditional Name: 3-isobutyl-5-methyl-1-phenyl-N-(4-pyridylmethyl)pyrazole-4-carboxamide Formula: C21H24N4O MolecularWeight: 348.44146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)CC(C)C)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)CC(C)C)C(=O)NCC3=CC=NC=C3

InChI

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