(3S,4R)-3-(4-bromophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide

Systemtic Name: (3S,4R)-3-(4-bromophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide Openeye Name: (3S,4R)-3-(4-bromophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide CAS Name: (3S,4R)-3-(4-bromophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide IUPAC Name: (3S,4R)-3-(4-bromophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-ethyl-3,4-dihydropyrazole-5-carboxamide Traditional Name: (4R,5S)-5-(4-bromophenyl)-N-cycloheptyl-1-(2,4-dichlorophenyl)-4-ethyl-2-pyrazoline-3-carboxamide Formula: C25H28BrCl2N3O MolecularWeight: 537.31932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(N=C1C(=O)NC2CCCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Br

Isomeric SMILES

CC[C@@H]1[C@H](N(N=C1C(=O)NC2CCCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H28BrCl2N3O/c1-2-20-23(25(32)29-19-7-5-3-4-6-8-19)30-31(22-14-13-18(27)15-21(22)28)24(20)16-9-11-17(26)12-10-16/h9-15,19-20,24H,2-8H2,1H3,(H,29,32)/t20-,24+/m0/s1