N-(2-ethylhexyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-(2-ethylhexyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-(2-ethylhexyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-(2-ethylhexyl)-2-[4-(4-methoxyphenyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(2-ethylhexyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-(2-ethylhexyl)-2-[4-(4-methoxyphenyl)piperazino]cinchoninamide Formula: C29H38N4O2 MolecularWeight: 474.63762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H38N4O2/c1-4-6-9-22(5-2)21-30-29(34)26-20-28(31-27-11-8-7-10-25(26)27)33-18-16-32(17-19-33)23-12-14-24(35-3)15-13-23/h7-8,10-15,20,22H,4-6,9,16-19,21H2,1-3H3,(H,30,34)