7-chloranyl-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 7-chloranyl-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 7-chloro-3-[(3-oxopiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 7-chloro-3-[(3-oxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 7-chloro-3-[(3-oxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 7-chloro-3-[(3-ketopiperazino)methyl]-2-phenyl-cinchoninic acid Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=C(N=C3C=C(C=CC3=C2C(=O)O)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)CC2=C(N=C3C=C(C=CC3=C2C(=O)O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H18ClN3O3/c22-14-6-7-15-17(10-14)24-20(13-4-2-1-3-5-13)16(19(15)21(27)28)11-25-9-8-23-18(26)12-25/h1-7,10H,8-9,11-12H2,(H,23,26)(H,27,28)