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

Systemtic Name: N-(1-cyclohexylethyl)-3-[[4-[2-(hydroxymethyl)pyrrolidin-1-yl]carbonylpiperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-cyclohexylethyl)-3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-3-[[4-[[2-(hydroxymethyl)-1-pyrrolidinyl]-oxomethyl]-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]piperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-3-[[4-(2-methylolpyrrolidine-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)N6CCCC6CO

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(CC5)C(=O)N6CCCC6CO

InChI

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