5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-heptyl-3,4-dihydropyrazole-2-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-heptyl-3,4-dihydropyrazole-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-heptyl-3,4-dihydropyrazole-2-carboxamide CAS Name: 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-heptyl-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-heptyl-3,4-dihydropyrazole-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-(4-cyanophenyl)-4-heptyl-2-pyrazoline-1-carboxamide Formula: C24H27ClN4O MolecularWeight: 422.95038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H27ClN4O/c1-2-3-4-5-6-7-20-17-29(28-23(20)19-10-12-21(25)13-11-19)24(30)27-22-14-8-18(16-26)9-15-22/h8-15,20H,2-7,17H2,1H3,(H,27,30)