2-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: 2-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-(2,5-dimethylphenyl)-N-[2-(1-pyrrolidinyl)ethyl]-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 2-(2,5-dimethylphenyl)-N-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 2-(2,5-dimethylphenyl)-N-(2-pyrrolidinoethyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CS3)C(=O)NCCN4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CS3)C(=O)NCCN4CCCC4

InChI

InChI=1S/C22H26N4OS/c1-16-7-8-17(2)19(14-16)26-20(15-18(24-26)21-6-5-13-28-21)22(27)23-9-12-25-10-3-4-11-25/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,23,27)