N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-1-(2-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C22H22FN5OS MolecularWeight: 423.506383

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=C(N(N=C1)C2=CC=CC=C2F)N3C=CC=C3)C4=CSC=C4

Isomeric SMILES

CN(C)C(CNC(=O)C1=C(N(N=C1)C2=CC=CC=C2F)N3C=CC=C3)C4=CSC=C4

InChI

InChI=1S/C22H22FN5OS/c1-26(2)20(16-9-12-30-15-16)14-24-21(29)17-13-25-28(19-8-4-3-7-18(19)23)22(17)27-10-5-6-11-27/h3-13,15,20H,14H2,1-2H3,(H,24,29)