[2-(4-chlorophenyl)-5-(2,4-dimethoxyphenyl)pyrazol-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [2-(4-chlorophenyl)-5-(2,4-dimethoxyphenyl)pyrazol-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [2-(4-chlorophenyl)-5-(2,4-dimethoxyphenyl)pyrazol-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [2-(4-chlorophenyl)-5-(2,4-dimethoxyphenyl)-3-pyrazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-(4-chlorophenyl)-5-(2,4-dimethoxyphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [2-(4-chlorophenyl)-5-(2,4-dimethoxyphenyl)pyrazol-3-yl]-pyrrolidino-methanone Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C(=C2)C(=O)N3CCCC3)C4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C(=C2)C(=O)N3CCCC3)C4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C22H22ClN3O3/c1-28-17-9-10-18(21(13-17)29-2)19-14-20(22(27)25-11-3-4-12-25)26(24-19)16-7-5-15(23)6-8-16/h5-10,13-14H,3-4,11-12H2,1-2H3