8-chloranyl-1-cyclopropyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C=C3)N4CCNCC4)Cl)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C=C3)N4CCNCC4)Cl)C(=O)O

InChI

InChI=1S/C17H18ClN3O3/c18-14-13(20-7-5-19-6-8-20)4-3-11-15(14)21(10-1-2-10)9-12(16(11)22)17(23)24/h3-4,9-10,19H,1-2,5-8H2,(H,23,24)