N,5-dibutyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxamide

Systemtic Name: N,5-dibutyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxamide Openeye Name: N,5-dibutyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxamide CAS Name: N,5-dibutyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-3-pyrazolecarboxamide IUPAC Name: N,5-dibutyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxamide Traditional Name: N,5-dibutyl-1-[4-(2-cyanophenyl)benzyl]pyrazole-3-carboxamide Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)NCCCC

Isomeric SMILES

CCCCC1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)NCCCC

InChI

InChI=1S/C26H30N4O/c1-3-5-10-23-17-25(26(31)28-16-6-4-2)29-30(23)19-20-12-14-21(15-13-20)24-11-8-7-9-22(24)18-27/h7-9,11-15,17H,3-6,10,16,19H2,1-2H3,(H,28,31)