3,5-dimethyl-N-(5-methylhexan-2-yl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-(5-methylhexan-2-yl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Openeye Name: N-(1,4-dimethylpentyl)-3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-N-(5-methylhexan-2-yl)-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxamide IUPAC Name: 3,5-dimethyl-N-(5-methylhexan-2-yl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Traditional Name: N-(1,4-dimethylpentyl)-3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C21H31N3O MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC(C)CCC(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC(C)CCC(C)C)C

InChI

InChI=1S/C21H31N3O/c1-14(2)7-10-16(4)22-21(25)20-17(5)23-24(18(20)6)13-19-11-8-15(3)9-12-19/h8-9,11-12,14,16H,7,10,13H2,1-6H3,(H,22,25)