4-[(4-chlorophenyl)-pyrrolidin-1-yl-methyl]-2-(3,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one

Systemtic Name: 4-[(4-chlorophenyl)-pyrrolidin-1-yl-methyl]-2-(3,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one Openeye Name: 4-[(4-chlorophenyl)-pyrrolidin-1-yl-methyl]-2-(3,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one CAS Name: 4-[(4-chlorophenyl)-(1-pyrrolidinyl)methyl]-2-(3,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one IUPAC Name: 4-[(4-chlorophenyl)-pyrrolidin-1-ylmethyl]-2-(3,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one Traditional Name: 4-[(4-chlorophenyl)-pyrrolidino-methyl]-2-(3,4-dichlorophenyl)-5-methyl-2-pyrazolin-3-one Formula: C21H20Cl3N3O MolecularWeight: 436.762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C2=CC=C(C=C2)Cl)N3CCCC3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=NN(C(=O)C1C(C2=CC=C(C=C2)Cl)N3CCCC3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H20Cl3N3O/c1-13-19(21(28)27(25-13)16-8-9-17(23)18(24)12-16)20(26-10-2-3-11-26)14-4-6-15(22)7-5-14/h4-9,12,19-20H,2-3,10-11H2,1H3