1-(cyclohexylmethyl)-4-(3,4-dichlorophenyl)-5-pyridin-4-yl-pyrazolidin-3-one

Systemtic Name: 1-(cyclohexylmethyl)-4-(3,4-dichlorophenyl)-5-pyridin-4-yl-pyrazolidin-3-one Openeye Name: 1-(cyclohexylmethyl)-4-(3,4-dichlorophenyl)-5-(4-pyridyl)pyrazolidin-3-one CAS Name: 1-(cyclohexylmethyl)-4-(3,4-dichlorophenyl)-5-pyridin-4-yl-3-pyrazolidinone IUPAC Name: 1-(cyclohexylmethyl)-4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one Traditional Name: 1-(cyclohexylmethyl)-4-(3,4-dichlorophenyl)-5-(4-pyridyl)pyrazolidin-3-one Formula: C21H23Cl2N3O MolecularWeight: 404.33282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(C(C(=O)N2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)CN2C(C(C(=O)N2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=NC=C4

InChI

InChI=1S/C21H23Cl2N3O/c22-17-7-6-16(12-18(17)23)19-20(15-8-10-24-11-9-15)26(25-21(19)27)13-14-4-2-1-3-5-14/h6-12,14,19-20H,1-5,13H2,(H,25,27)