6,8-bis(chloranyl)-1-cyclopropyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(chloranyl)-1-cyclopropyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6,8-dichloro-1-cyclopropyl-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6,8-dichloro-1-cyclopropyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6,8-dichloro-1-cyclopropyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6,8-dichloro-1-cyclopropyl-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C18H19Cl2N3O3 MolecularWeight: 396.26776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)Cl

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)Cl

InChI

InChI=1S/C18H19Cl2N3O3/c1-9-7-22(5-4-21-9)16-13(19)6-11-15(14(16)20)23(10-2-3-10)8-12(17(11)24)18(25)26/h6,8-10,21H,2-5,7H2,1H3,(H,25,26)