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

Systemtic Name: 2-(4-chlorophenyl)-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[4-(3-oxo-1-piperazinyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[4-(3-ketopiperazino)phenyl]cinchoninamide Formula: C26H21ClN4O2 MolecularWeight: 456.92354

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN4O2/c27-18-7-5-17(6-8-18)24-15-22(21-3-1-2-4-23(21)30-24)26(33)29-19-9-11-20(12-10-19)31-14-13-28-25(32)16-31/h1-12,15H,13-14,16H2,(H,28,32)(H,29,33)