N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,5-dimethylthiophen-3-yl)-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,5-dimethylthiophen-3-yl)-1-ethyl-pyrazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,5-dimethyl-3-thienyl)-1-ethyl-pyrazole-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,5-dimethyl-3-thiophenyl)-1-ethyl-3-pyrazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2,5-dimethylthiophen-3-yl)-1-ethylpyrazole-3-carboxamide Traditional Name: 5-(2,5-dimethyl-3-thienyl)-1-ethyl-N-homoveratryl-pyrazole-3-carboxamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)C3=C(SC(=C3)C)C

Isomeric SMILES

CCN1C(=CC(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)C3=C(SC(=C3)C)C

InChI

InChI=1S/C22H27N3O3S/c1-6-25-19(17-11-14(2)29-15(17)3)13-18(24-25)22(26)23-10-9-16-7-8-20(27-4)21(12-16)28-5/h7-8,11-13H,6,9-10H2,1-5H3,(H,23,26)