N-[(4-piperidin-1-ylcarbonylphenyl)methyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[(4-piperidin-1-ylcarbonylphenyl)methyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[4-(piperidine-1-carbonyl)benzyl]-2-(3-pyridyl)cinchoninamide Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C28H26N4O2/c33-27(30-18-20-10-12-21(13-11-20)28(34)32-15-4-1-5-16-32)24-17-26(22-7-6-14-29-19-22)31-25-9-3-2-8-23(24)25/h2-3,6-14,17,19H,1,4-5,15-16,18H2,(H,30,33)