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

Systemtic Name: 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(3-methoxypropyl)-3,4-dihydropyrazole-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(3-methoxypropyl)-3,4-dihydropyrazole-2-carboxamide CAS Name: 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(3-methoxypropyl)-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(3-methoxypropyl)-3,4-dihydropyrazole-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(3-methoxypropyl)-2-pyrazoline-1-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

COCCCC1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

COCCCC1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21ClN4O2/c1-28-12-2-3-17-14-26(25-20(17)16-6-8-18(22)9-7-16)21(27)24-19-10-4-15(13-23)5-11-19/h4-11,17H,2-3,12,14H2,1H3,(H,24,27)