N-(1-cyclohexylethyl)-3-[[4-(2-cyclohexyl-2-oxidanyl-ethanoyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(1-cyclohexylethyl)-3-[[4-(2-cyclohexyl-2-oxidanyl-ethanoyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-cyclohexylethyl)-3-[[4-(2-cyclohexyl-2-hydroxy-acetyl)piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-3-[[4-(2-cyclohexyl-2-hydroxy-1-oxoethyl)-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-3-[[4-(2-cyclohexyl-2-hydroxyacetyl)piperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-3-[[4-(2-cyclohexyl-2-hydroxy-acetyl)piperazino]methyl]-2-(2-thienyl)cinchoninamide Formula: C35H46N4O3S MolecularWeight: 602.82974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(CC5)C(=O)C(C6CCCCC6)O

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(CC5)C(=O)C(C6CCCCC6)O

InChI

InChI=1S/C35H46N4O3S/c1-24(25-11-4-2-5-12-25)36-34(41)31-27-15-8-9-16-29(27)37-32(30-17-10-22-43-30)28(31)23-38-18-20-39(21-19-38)35(42)33(40)26-13-6-3-7-14-26/h8-10,15-17,22,24-26,33,40H,2-7,11-14,18-21,23H2,1H3,(H,36,41)