5-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]isoquinoline

Systemtic Name: 5-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]isoquinoline Openeye Name: 5-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidyl]methyl]isoquinoline CAS Name: 5-[[(3S)-3-[4-(4-fluorophenyl)-1-piperazinyl]-1-piperidinyl]methyl]isoquinoline IUPAC Name: 5-[[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]isoquinoline Traditional Name: 5-[[(3S)-3-[4-(4-fluorophenyl)piperazino]piperidino]methyl]isoquinoline Formula: C25H29FN4 MolecularWeight: 404.522963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC3=C2C=CN=C3)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC=CC3=C2C=CN=C3)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H29FN4/c26-22-6-8-23(9-7-22)29-13-15-30(16-14-29)24-5-2-12-28(19-24)18-21-4-1-3-20-17-27-11-10-25(20)21/h1,3-4,6-11,17,24H,2,5,12-16,18-19H2/t24-/m0/s1