1-[4-(2-diethylaminoethylcarbamoyl)-3-propan-2-yl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-[4-(2-diethylaminoethylcarbamoyl)-3-propan-2-yl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-[4-(2-diethylaminoethylcarbamoyl)-3-isopropyl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-[4-[(2-diethylaminoethylamino)-oxomethyl]-3-propan-2-ylphenyl]-5-(2,6-dimethoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-[4-(2-diethylaminoethylcarbamoyl)-3-propan-2-ylphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-[4-(2-diethylaminoethylcarbamoyl)-3-isopropyl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Formula: C28H36N4O5 MolecularWeight: 508.60924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=C(C=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=C(C=CC=C3OC)OC)C(C)C

Isomeric SMILES

CCN(CC)CCNC(=O)C1=C(C=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=C(C=CC=C3OC)OC)C(C)C

InChI

InChI=1S/C28H36N4O5/c1-7-31(8-2)15-14-29-27(33)20-13-12-19(16-21(20)18(3)4)32-23(17-22(30-32)28(34)35)26-24(36-5)10-9-11-25(26)37-6/h9-13,16-18H,7-8,14-15H2,1-6H3,(H,29,33)(H,34,35)