N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[4-(3-oxo-1-piperazinyl)phenyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[4-(3-oxopiperazin-1-yl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[4-(3-ketopiperazino)phenyl]-2-(4-pyridyl)cinchoninamide Formula: C25H21N5O2 MolecularWeight: 423.46654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C25H21N5O2/c31-24-16-30(14-13-27-24)19-7-5-18(6-8-19)28-25(32)21-15-23(17-9-11-26-12-10-17)29-22-4-2-1-3-20(21)22/h1-12,15H,13-14,16H2,(H,27,31)(H,28,32)