N-[(3-cyano-4-phenyl-phenyl)methyl]-N-octyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(3-cyano-4-phenyl-phenyl)methyl]-N-octyl-1H-pyrazole-5-carboxamide Openeye Name: N-[(3-cyano-4-phenyl-phenyl)methyl]-N-octyl-1H-pyrazole-5-carboxamide CAS Name: N-[(3-cyano-4-phenylphenyl)methyl]-N-octyl-1H-pyrazole-5-carboxamide IUPAC Name: N-[(3-cyano-4-phenylphenyl)methyl]-N-octyl-1H-pyrazole-5-carboxamide Traditional Name: N-(3-cyano-4-phenyl-benzyl)-N-octyl-1H-pyrazole-5-carboxamide Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)C(=O)C3=CC=NN3

Isomeric SMILES

CCCCCCCCN(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)C(=O)C3=CC=NN3

InChI

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