N-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylquinolin-2-yl]phenyl]propanamide

Systemtic Name: N-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylquinolin-2-yl]phenyl]propanamide Openeye Name: N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-quinolyl]phenyl]propanamide CAS Name: N-[4-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-quinolinyl]phenyl]propanamide IUPAC Name: N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide Traditional Name: N-[4-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]-2-quinolyl]phenyl]propionamide Formula: C27H26N6O2 MolecularWeight: 466.53434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H26N6O2/c1-2-25(34)30-20-10-8-19(9-11-20)24-18-22(21-6-3-4-7-23(21)31-24)26(35)32-14-16-33(17-15-32)27-28-12-5-13-29-27/h3-13,18H,2,14-17H2,1H3,(H,30,34)