(3S,4R)-3-(4-bromanylthiophen-2-yl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide

Systemtic Name: (3S,4R)-3-(4-bromanylthiophen-2-yl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide Openeye Name: (3S,4R)-3-(4-bromo-2-thienyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-(1-piperidyl)-3,4-dihydropyrazole-5-carboxamide CAS Name: (3S,4R)-3-(4-bromo-2-thiophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-(1-piperidinyl)-3,4-dihydropyrazole-5-carboxamide IUPAC Name: (3S,4R)-3-(4-bromothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide Traditional Name: (4R,5S)-5-(4-bromo-2-thienyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidino-2-pyrazoline-3-carboxamide Formula: C21H23BrCl2N4OS MolecularWeight: 530.30852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC(=CS4)Br

Isomeric SMILES

CC[C@@H]1[C@H](N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC(=CS4)Br

InChI

InChI=1S/C21H23BrCl2N4OS/c1-2-15-19(21(29)26-27-8-4-3-5-9-27)25-28(17-7-6-14(23)11-16(17)24)20(15)18-10-13(22)12-30-18/h6-7,10-12,15,20H,2-5,8-9H2,1H3,(H,26,29)/t15-,20-/m0/s1