6-chloranyl-1-cyclopropyl-7-[4-(3-methoxy-3-oxidanylidene-propyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-1-cyclopropyl-7-[4-(3-methoxy-3-oxidanylidene-propyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-chloro-1-cyclopropyl-7-[4-(3-methoxy-3-oxo-propyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-chloro-1-cyclopropyl-7-[4-(3-methoxy-3-oxopropyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-1-cyclopropyl-7-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-cyclopropyl-4-keto-7-[4-(3-keto-3-methoxy-propyl)piperazino]quinoline-3-carboxylic acid Formula: C21H24ClN3O5 MolecularWeight: 433.88536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)Cl

Isomeric SMILES

COC(=O)CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)Cl

InChI

InChI=1S/C21H24ClN3O5/c1-30-19(26)4-5-23-6-8-24(9-7-23)18-11-17-14(10-16(18)22)20(27)15(21(28)29)12-25(17)13-2-3-13/h10-13H,2-9H2,1H3,(H,28,29)