2-[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-quinolin-1-yl]-N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)ethanamide; 2,3-bis(oxidanyl)butanedioic acid

Systemtic Name: 2-[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-quinolin-1-yl]-N-[[4-(4-chlorophenyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)ethanamide; 2,3-bis(oxidanyl)butanedioic acid Openeye Name: N-[[4-(4-chlorophenyl)phenyl]methyl]-2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-1-quinolyl]-N-(1-methyl-4-piperidyl)acetamide; 2,3-dihydroxybutanedioic acid CAS Name: N-[[4-(4-chlorophenyl)phenyl]methyl]-2-[2-[(2,3-difluorophenyl)methylthio]-4-oxo-1-quinolinyl]-N-(1-methyl-4-piperidinyl)acetamide; 2,3-dihydroxybutanedioic acid IUPAC Name: N-[[4-(4-chlorophenyl)phenyl]methyl]-2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide; 2,3-dihydroxybutanedioic acid Traditional Name: N-[4-(4-chlorophenyl)benzyl]-2-[2-[(2,3-difluorobenzyl)thio]-4-keto-1-quinolyl]-N-(1-methyl-4-piperidyl)acetamide; tartaric acid Formula: C41H40ClF2N3O8S MolecularWeight: 808.286406

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)CN4C5=CC=CC=C5C(=O)C=C4SCC6=C(C(=CC=C6)F)F.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)CN4C5=CC=CC=C5C(=O)C=C4SCC6=C(C(=CC=C6)F)F.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C37H34ClF2N3O2S.C4H6O6/c1-41-19-17-30(18-20-41)42(22-25-9-11-26(12-10-25)27-13-15-29(38)16-14-27)35(45)23-43-33-8-3-2-6-31(33)34(44)21-36(43)46-24-28-5-4-7-32(39)37(28)40;5-1(3(7)8)2(6)4(9)10/h2-16,21,30H,17-20,22-24H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)