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

Systemtic Name: N-[[3,4-bis(fluoranyl)phenyl]methyl]-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-iodanyl-pyridine-3-carboxamide Openeye Name: 6-[4-[1-[(4-chlorophenyl)methyl]-4-piperidyl]piperazin-1-yl]-N-[(3,4-difluorophenyl)methyl]-5-iodo-pyridine-3-carboxamide CAS Name: 6-[4-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-1-piperazinyl]-N-[(3,4-difluorophenyl)methyl]-5-iodo-3-pyridinecarboxamide IUPAC Name: 6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(3,4-difluorophenyl)methyl]-5-iodopyridine-3-carboxamide Traditional Name: 6-[4-[1-(4-chlorobenzyl)-4-piperidyl]piperazino]-N-(3,4-difluorobenzyl)-5-iodo-nicotinamide Formula: C29H31ClF2IN5O MolecularWeight: 665.943616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31ClF2IN5O/c30-23-4-1-20(2-5-23)19-36-9-7-24(8-10-36)37-11-13-38(14-12-37)28-27(33)16-22(18-34-28)29(39)35-17-21-3-6-25(31)26(32)15-21/h1-6,15-16,18,24H,7-14,17,19H2,(H,35,39)