1-(4-fluorophenyl)-4-[(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-methyl-amino]butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-[(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-methyl-amino]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[[1-(5-isoquinolylsulfonyl)-4-piperidyl]-methyl-amino]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[[1-(5-isoquinolinylsulfonyl)-4-piperidinyl]-methylamino]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-methylamino]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[[1-(5-isoquinolylsulfonyl)-4-piperidyl]-methyl-amino]butan-1-one Formula: C25H28FN3O3S MolecularWeight: 469.571523

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)C1=CC=C(C=C1)F)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CCCC(=O)C1=CC=C(C=C1)F)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H28FN3O3S/c1-28(15-3-5-24(30)19-7-9-21(26)10-8-19)22-12-16-29(17-13-22)33(31,32)25-6-2-4-20-18-27-14-11-23(20)25/h2,4,6-11,14,18,22H,3,5,12-13,15-17H2,1H3