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

Systemtic Name: N-(1-cyclohexylethyl)-3-[[4-(4-oxidanylpiperidin-1-yl)carbonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-cyclohexylethyl)-3-[[4-(4-hydroxypiperidine-1-carbonyl)piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-3-[[4-[(4-hydroxy-1-piperidinyl)-oxomethyl]-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-3-[[4-(4-hydroxypiperidine-1-carbonyl)piperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-3-[[4-(4-hydroxypiperidine-1-carbonyl)piperazino]methyl]-2-(2-thienyl)cinchoninamide Formula: C33H43N5O3S MolecularWeight: 589.79122

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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)N6CCC(CC6)O

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(CC5)C(=O)N6CCC(CC6)O

InChI

InChI=1S/C33H43N5O3S/c1-23(24-8-3-2-4-9-24)34-32(40)30-26-10-5-6-11-28(26)35-31(29-12-7-21-42-29)27(30)22-36-17-19-38(20-18-36)33(41)37-15-13-25(39)14-16-37/h5-7,10-12,21,23-25,39H,2-4,8-9,13-20,22H2,1H3,(H,34,40)