2-(3,4-dimethoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[[6-(4-methylpiperazino)-3-pyridyl]methyl]cinchoninamide Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C29H31N5O3/c1-33-12-14-34(15-13-33)28-11-8-20(18-30-28)19-31-29(35)23-17-25(32-24-7-5-4-6-22(23)24)21-9-10-26(36-2)27(16-21)37-3/h4-11,16-18H,12-15,19H2,1-3H3,(H,31,35)