N-(2-cyclohexylethyl)-6-fluoranyl-3-[[4-(2-hydroxyethyl)-3-oxidanylidene-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(2-cyclohexylethyl)-6-fluoranyl-3-[[4-(2-hydroxyethyl)-3-oxidanylidene-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(2-cyclohexylethyl)-6-fluoro-3-[[4-(2-hydroxyethyl)-3-oxo-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-(2-cyclohexylethyl)-6-fluoro-3-[[4-(2-hydroxyethyl)-3-oxo-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(2-cyclohexylethyl)-6-fluoro-3-[[4-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-(2-cyclohexylethyl)-6-fluoro-3-[[4-(2-hydroxyethyl)-3-keto-piperazino]methyl]-2-phenyl-cinchoninamide Formula: C31H37FN4O3 MolecularWeight: 532.648883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCNC(=O)C2=C3C=C(C=CC3=NC(=C2CN4CCN(C(=O)C4)CCO)C5=CC=CC=C5)F

Isomeric SMILES

C1CCC(CC1)CCNC(=O)C2=C3C=C(C=CC3=NC(=C2CN4CCN(C(=O)C4)CCO)C5=CC=CC=C5)F

InChI

InChI=1S/C31H37FN4O3/c32-24-11-12-27-25(19-24)29(31(39)33-14-13-22-7-3-1-4-8-22)26(30(34-27)23-9-5-2-6-10-23)20-35-15-16-36(17-18-37)28(38)21-35/h2,5-6,9-12,19,22,37H,1,3-4,7-8,13-18,20-21H2,(H,33,39)