4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-pyridin-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-pyridin-2-yl-pyrazole-3-carboxylic acid Openeye Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-(2-pyridyl)pyrazole-3-carboxylic acid CAS Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-(2-pyridinyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid Traditional Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-(cyclohexylmethyl)-5-(2-pyridyl)pyrazole-3-carboxylic acid Formula: C24H24ClN3O4 MolecularWeight: 453.91806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(=C(C(=N2)C3=CC=CC=N3)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O

Isomeric SMILES

C1CCC(CC1)CN2C(=C(C(=N2)C3=CC=CC=N3)CC4=CC5=C(C=C4Cl)OCO5)C(=O)O

InChI

InChI=1S/C24H24ClN3O4/c25-18-12-21-20(31-14-32-21)11-16(18)10-17-22(19-8-4-5-9-26-19)27-28(23(17)24(29)30)13-15-6-2-1-3-7-15/h4-5,8-9,11-12,15H,1-3,6-7,10,13-14H2,(H,29,30)