N-(4-bromophenyl)-5-(4-chlorophenyl)-4-(3-cyanopropyl)-4-phenyl-3H-pyrazole-2-carboxamide

Systemtic Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-(3-cyanopropyl)-4-phenyl-3H-pyrazole-2-carboxamide Openeye Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-(3-cyanopropyl)-4-phenyl-3H-pyrazole-2-carboxamide CAS Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-(3-cyanopropyl)-4-phenyl-3H-pyrazole-2-carboxamide IUPAC Name: N-(4-bromophenyl)-5-(4-chlorophenyl)-4-(3-cyanopropyl)-4-phenyl-3H-pyrazole-2-carboxamide Traditional Name: N-(4-bromophenyl)-3-(4-chlorophenyl)-4-(3-cyanopropyl)-4-phenyl-2-pyrazoline-1-carboxamide Formula: C26H22BrClN4O MolecularWeight: 521.83608

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NN1C(=O)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl)(CCCC#N)C4=CC=CC=C4

Isomeric SMILES

C1C(C(=NN1C(=O)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl)(CCCC#N)C4=CC=CC=C4

InChI

InChI=1S/C26H22BrClN4O/c27-21-10-14-23(15-11-21)30-25(33)32-18-26(16-4-5-17-29,20-6-2-1-3-7-20)24(31-32)19-8-12-22(28)13-9-19/h1-3,6-15H,4-5,16,18H2,(H,30,33)