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

Systemtic Name: N-(1-cyclohexylethyl)-3-[[4-(2-methyl-2-oxidanyl-propanoyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxy-2-methyl-propanoyl)piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxy-2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxy-2-methyl-propanoyl)piperazino]methyl]-2-(2-thienyl)cinchoninamide Formula: C31H40N4O3S MolecularWeight: 548.7393

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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(C)(C)O

Isomeric SMILES

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

InChI

InChI=1S/C31H40N4O3S/c1-21(22-10-5-4-6-11-22)32-29(36)27-23-12-7-8-13-25(23)33-28(26-14-9-19-39-26)24(27)20-34-15-17-35(18-16-34)30(37)31(2,3)38/h7-9,12-14,19,21-22,38H,4-6,10-11,15-18,20H2,1-3H3,(H,32,36)