1-(4-azanyl-2-cyclopentyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-azanyl-2-cyclopentyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-amino-2-cyclopentyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-amino-2-cyclopentylphenyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-amino-2-cyclopentylphenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-amino-2-cyclopentyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=C(C=C(C=C3)N)C4CCCC4)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=C(C=C(C=C3)N)C4CCCC4)C(=O)O

InChI

InChI=1S/C23H25N3O4/c1-29-20-8-5-9-21(30-2)22(20)19-13-17(23(27)28)25-26(19)18-11-10-15(24)12-16(18)14-6-3-4-7-14/h5,8-14H,3-4,6-7,24H2,1-2H3,(H,27,28)