N-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[4-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-chloranyl-pyridine-3-carboxamide

Systemtic Name: N-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[4-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-chloranyl-pyridine-3-carboxamide Openeye Name: 6-[4-[1-[(4-bromo-2-fluoro-phenyl)methyl]-4-piperidyl]piperazin-1-yl]-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide CAS Name: 6-[4-[1-[(4-bromo-2-fluorophenyl)methyl]-4-piperidinyl]-1-piperazinyl]-5-chloro-N-[(2,4-difluorophenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide Traditional Name: 6-[4-[1-(4-bromo-2-fluoro-benzyl)-4-piperidyl]piperazino]-5-chloro-N-(2,4-difluorobenzyl)nicotinamide Formula: C29H30BrClF3N5O MolecularWeight: 636.93361

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=C(C=C(C=N3)C(=O)NCC4=C(C=C(C=C4)F)F)Cl)CC5=C(C=C(C=C5)Br)F

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=C(C=C(C=N3)C(=O)NCC4=C(C=C(C=C4)F)F)Cl)CC5=C(C=C(C=C5)Br)F

InChI

InChI=1S/C29H30BrClF3N5O/c30-22-3-1-20(26(33)14-22)18-37-7-5-24(6-8-37)38-9-11-39(12-10-38)28-25(31)13-21(17-35-28)29(40)36-16-19-2-4-23(32)15-27(19)34/h1-4,13-15,17,24H,5-12,16,18H2,(H,36,40)