6-butylsulfonyl-1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline

Systemtic Name: 6-butylsulfonyl-1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline Openeye Name: 6-butylsulfonyl-1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline CAS Name: 6-butylsulfonyl-1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline IUPAC Name: 6-butylsulfonyl-1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline Traditional Name: 6-butylsulfonyl-4a-(4-fluorobenzyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazol[3,4-g]isoquinoline Formula: C27H29F2N3O2S MolecularWeight: 497.599866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCC2=CC3=C(CC2(C1)CC4=CC=C(C=C4)F)C=NN3C5=CC=C(C=C5)F

Isomeric SMILES

CCCCS(=O)(=O)N1CCC2=CC3=C(CC2(C1)CC4=CC=C(C=C4)F)C=NN3C5=CC=C(C=C5)F

InChI

InChI=1S/C27H29F2N3O2S/c1-2-3-14-35(33,34)31-13-12-22-15-26-21(18-30-32(26)25-10-8-24(29)9-11-25)17-27(22,19-31)16-20-4-6-23(28)7-5-20/h4-11,15,18H,2-3,12-14,16-17,19H2,1H3