N-(1-cyclohexylethyl)-6-fluoranyl-3-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(1-cyclohexylethyl)-6-fluoranyl-3-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-cyclohexylethyl)-6-fluoro-3-[[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-6-fluoro-3-[[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-6-fluoro-3-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-6-fluoro-3-[[4-(2-keto-2-pyrrolidino-ethyl)piperazino]methyl]-2-(2-thienyl)cinchoninamide Formula: C33H42FN5O2S MolecularWeight: 591.782283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C3C=C(C=CC3=NC(=C2CN4CCN(CC4)CC(=O)N5CCCC5)C6=CC=CS6)F

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C3C=C(C=CC3=NC(=C2CN4CCN(CC4)CC(=O)N5CCCC5)C6=CC=CS6)F

InChI

InChI=1S/C33H42FN5O2S/c1-23(24-8-3-2-4-9-24)35-33(41)31-26-20-25(34)11-12-28(26)36-32(29-10-7-19-42-29)27(31)21-37-15-17-38(18-16-37)22-30(40)39-13-5-6-14-39/h7,10-12,19-20,23-24H,2-6,8-9,13-18,21-22H2,1H3,(H,35,41)