2-(4-chlorophenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]quinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[6-(3-ketopiperazino)-3-pyridyl]cinchoninamide Formula: C25H20ClN5O2 MolecularWeight: 457.9116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClN5O2/c26-17-7-5-16(6-8-17)22-13-20(19-3-1-2-4-21(19)30-22)25(33)29-18-9-10-23(28-14-18)31-12-11-27-24(32)15-31/h1-10,13-14H,11-12,15H2,(H,27,32)(H,29,33)