N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-[[1-[2-(4-fluorophenyl)ethyl]-4-piperidyl]methyl]-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-[[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]methyl]-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-[[1-[2-(4-fluorophenyl)ethyl]-4-piperidyl]methyl]-1-piperidino-isoquinoline-4-carboxamide Formula: C29H35FN4O MolecularWeight: 474.612803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NCC4CCN(CC4)CCC5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NCC4CCN(CC4)CCC5=CC=C(C=C5)F

InChI

InChI=1S/C29H35FN4O/c30-24-10-8-22(9-11-24)12-17-33-18-13-23(14-19-33)20-32-29(35)27-21-31-28(34-15-4-1-5-16-34)26-7-3-2-6-25(26)27/h2-3,6-11,21,23H,1,4-5,12-20H2,(H,32,35)