3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide hydrate

Systemtic Name: 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide hydrate Openeye Name: 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(1-piperidyl)-3,4-dihydropyrazole-5-carboxamide hydrate CAS Name: 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(1-piperidinyl)-3,4-dihydropyrazole-5-carboxamide hydrate IUPAC Name: 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide hydrate Traditional Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidino-2-pyrazoline-3-carboxamide hydrate Formula: C21H23Cl3N4O2 MolecularWeight: 469.79192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(=O)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl.O

Isomeric SMILES

C1CCN(CC1)NC(=O)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl.O

InChI

InChI=1S/C21H21Cl3N4O.H2O/c22-15-6-4-14(5-7-15)20-13-18(21(29)26-27-10-2-1-3-11-27)25-28(20)19-9-8-16(23)12-17(19)24;/h4-9,12,20H,1-3,10-11,13H2,(H,26,29);1H2