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

Systemtic Name: 2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoline-4-carboxamide Openeye Name: 2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoline-4-carboxamide CAS Name: 2-phenyl-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoline-4-carboxamide Traditional Name: 2-phenyl-N-[3-[4-(2-pyrimidyl)piperazino]propyl]cinchoninamide Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C27H28N6O/c34-26(28-14-7-15-32-16-18-33(19-17-32)27-29-12-6-13-30-27)23-20-25(21-8-2-1-3-9-21)31-24-11-5-4-10-22(23)24/h1-6,8-13,20H,7,14-19H2,(H,28,34)