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

Systemtic Name: N-(1-cyclohexylethyl)-3-[[4-(2-oxidanylpropanoyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxy-1-oxopropyl)-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-3-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-3-[(4-lactoylpiperazino)methyl]-2-(2-thienyl)cinchoninamide Formula: C30H38N4O3S MolecularWeight: 534.71272

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C30H38N4O3S/c1-20(22-9-4-3-5-10-22)31-29(36)27-23-11-6-7-12-25(23)32-28(26-13-8-18-38-26)24(27)19-33-14-16-34(17-15-33)30(37)21(2)35/h6-8,11-13,18,20-22,35H,3-5,9-10,14-17,19H2,1-2H3,(H,31,36)