5-(4-chlorophenyl)-4-(3-cyanopropyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-4-(3-cyanopropyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-4-(3-cyanopropyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide CAS Name: 5-(4-chlorophenyl)-4-(3-cyanopropyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 5-(4-chlorophenyl)-4-(3-cyanopropyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-(3-cyanopropyl)-N-phenyl-2-pyrazoline-1-carboxamide Formula: C20H19ClN4O MolecularWeight: 366.84406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O/c21-17-11-9-15(10-12-17)19-16(6-4-5-13-22)14-25(24-19)20(26)23-18-7-2-1-3-8-18/h1-3,7-12,16H,4-6,14H2,(H,23,26)