1-(4-butylphenyl)-5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-pyrazole-3-carboxamide

Systemtic Name: 1-(4-butylphenyl)-5-(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-pyrazole-3-carboxamide Openeye Name: 1-(4-butylphenyl)-5-(4-chlorophenyl)-4-methyl-N-(1-piperidyl)pyrazole-3-carboxamide CAS Name: 1-(4-butylphenyl)-5-(4-chlorophenyl)-4-methyl-N-(1-piperidinyl)-3-pyrazolecarboxamide IUPAC Name: 1-(4-butylphenyl)-5-(4-chlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide Traditional Name: 1-(4-butylphenyl)-5-(4-chlorophenyl)-4-methyl-N-piperidino-pyrazole-3-carboxamide Formula: C26H31ClN4O MolecularWeight: 451.00354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)NN3CCCCC3)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)NN3CCCCC3)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H31ClN4O/c1-3-4-8-20-9-15-23(16-10-20)31-25(21-11-13-22(27)14-12-21)19(2)24(28-31)26(32)29-30-17-6-5-7-18-30/h9-16H,3-8,17-18H2,1-2H3,(H,29,32)