3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methanone

Systemtic Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methanone Openeye Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methanone CAS Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methanone IUPAC Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methanone Traditional Name: 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-pyrazolin-3-yl]methanone Formula: C25H26Cl3N3O MolecularWeight: 490.85244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CCC2C1)C(=O)C3=NN(C(C3)C4=CC=C(C=C4)Cl)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1CCC2CN(CCC2C1)C(=O)C3=NN(C(C3)C4=CC=C(C=C4)Cl)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C25H26Cl3N3O/c26-19-7-5-17(6-8-19)24-14-22(29-31(24)23-10-9-20(27)13-21(23)28)25(32)30-12-11-16-3-1-2-4-18(16)15-30/h5-10,13,16,18,24H,1-4,11-12,14-15H2