[4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-2-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperazin-1-yl]-[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]methanone

Systemtic Name: [4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-2-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperazin-1-yl]-[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]methanone Openeye Name: [4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-2-[(4-fluoro-3-methoxy-phenyl)methyl]piperazin-1-yl]-[3-(4-pyridyl)-5-(trifluoromethyl)phenyl]methanone CAS Name: [4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-2-[(4-fluoro-3-methoxyphenyl)methyl]-1-piperazinyl]-[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]methanone IUPAC Name: [4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-2-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]methanone Traditional Name: [4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-2-(4-fluoro-3-methoxy-benzyl)piperazino]-[3-(4-pyridyl)-5-(trifluoromethyl)phenyl]methanone Formula: C35H35F4N5O2 MolecularWeight: 633.678313

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2CN(CCN2C(=O)C3=CC(=CC(=C3)C4=CC=NC=C4)C(F)(F)F)CCN5CCC6=C(C5)C=CC=N6)F

Isomeric SMILES

COC1=C(C=CC(=C1)CC2CN(CCN2C(=O)C3=CC(=CC(=C3)C4=CC=NC=C4)C(F)(F)F)CCN5CCC6=C(C5)C=CC=N6)F

InChI

InChI=1S/C35H35F4N5O2/c1-46-33-18-24(4-5-31(33)36)17-30-23-43(14-13-42-12-8-32-26(22-42)3-2-9-41-32)15-16-44(30)34(45)28-19-27(25-6-10-40-11-7-25)20-29(21-28)35(37,38)39/h2-7,9-11,18-21,30H,8,12-17,22-23H2,1H3