N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]prop-2-en-1-amine

Systemtic Name: N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]prop-2-en-1-amine Openeye Name: N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]prop-2-en-1-amine CAS Name: N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]-2-propen-1-amine IUPAC Name: N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]prop-2-en-1-amine Traditional Name: [(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazol[3,4-g]isoquinolin-4a-yl]methyl-allyl-amine Formula: C30H35FN4O2S MolecularWeight: 534.687903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(CC3(C2)CNCC=C)C=NN4C5=CC=C(C=C5)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(C[C@@]3(C2)CNCC=C)C=NN4C5=CC=C(C=C5)F

InChI

InChI=1S/C30H35FN4O2S/c1-5-15-32-20-30-18-22-19-33-35(26-10-8-25(31)9-11-26)28(22)17-24(30)14-16-34(21-30)38(36,37)27-12-6-23(7-13-27)29(2,3)4/h5-13,17,19,32H,1,14-16,18,20-21H2,2-4H3/t30-/m0/s1