N-(1-ethylpiperidin-4-yl)-2-[6-[(4-fluorophenyl)methylsulfanyl]-3-methyl-4-oxidanylidene-pyridazin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide

Systemtic Name: N-(1-ethylpiperidin-4-yl)-2-[6-[(4-fluorophenyl)methylsulfanyl]-3-methyl-4-oxidanylidene-pyridazin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethanamide Openeye Name: N-(1-ethyl-4-piperidyl)-2-[6-[(4-fluorophenyl)methylsulfanyl]-3-methyl-4-oxo-pyridazin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide CAS Name: N-(1-ethyl-4-piperidinyl)-2-[6-[(4-fluorophenyl)methylthio]-3-methyl-4-oxo-1-pyridazinyl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide IUPAC Name: N-(1-ethylpiperidin-4-yl)-2-[6-[(4-fluorophenyl)methylsulfanyl]-3-methyl-4-oxopyridazin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide Traditional Name: N-(1-ethyl-4-piperidyl)-2-[6-[(4-fluorobenzyl)thio]-4-keto-3-methyl-pyridazin-1-yl]-N-[4-[4-(trifluoromethyl)phenyl]benzyl]acetamide Formula: C35H36F4N4O2S MolecularWeight: 652.744553

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN4C(=CC(=O)C(=N4)C)SCC5=CC=C(C=C5)F

Isomeric SMILES

CCN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN4C(=CC(=O)C(=N4)C)SCC5=CC=C(C=C5)F

InChI

InChI=1S/C35H36F4N4O2S/c1-3-41-18-16-31(17-19-41)42(21-25-4-8-27(9-5-25)28-10-12-29(13-11-28)35(37,38)39)33(45)22-43-34(20-32(44)24(2)40-43)46-23-26-6-14-30(36)15-7-26/h4-15,20,31H,3,16-19,21-23H2,1-2H3