2-(4-methylphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-methylphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoline-4-carboxamide Openeye Name: 2-(p-tolyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoline-4-carboxamide CAS Name: 2-(4-methylphenyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-methylphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoline-4-carboxamide Traditional Name: 2-(p-tolyl)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]cinchoninamide Formula: C28H30N6O MolecularWeight: 466.5774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C28H30N6O/c1-21-8-10-22(11-9-21)26-20-24(23-6-2-3-7-25(23)32-26)27(35)29-14-5-15-33-16-18-34(19-17-33)28-30-12-4-13-31-28/h2-4,6-13,20H,5,14-19H2,1H3,(H,29,35)