N-(azepan-1-yl)-5-(5-bromanylthiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-pyrazole-3-carboxamide

Systemtic Name: N-(azepan-1-yl)-5-(5-bromanylthiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethyl-pyrazole-3-carboxamide Openeye Name: N-(azepan-1-yl)-5-(5-bromo-2-thienyl)-1-(2,4-dichlorophenyl)-4-ethyl-pyrazole-3-carboxamide CAS Name: N-(1-azepanyl)-5-(5-bromo-2-thiophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-3-pyrazolecarboxamide IUPAC Name: N-(azepan-1-yl)-5-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-ethylpyrazole-3-carboxamide Traditional Name: N-(azepan-1-yl)-5-(5-bromo-2-thienyl)-1-(2,4-dichlorophenyl)-4-ethyl-pyrazole-3-carboxamide Formula: C22H23BrCl2N4OS MolecularWeight: 542.31922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N=C1C(=O)NN2CCCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(S4)Br

Isomeric SMILES

CCC1=C(N(N=C1C(=O)NN2CCCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(S4)Br

InChI

InChI=1S/C22H23BrCl2N4OS/c1-2-15-20(22(30)27-28-11-5-3-4-6-12-28)26-29(17-8-7-14(24)13-16(17)25)21(15)18-9-10-19(23)31-18/h7-10,13H,2-6,11-12H2,1H3,(H,27,30)