7-(4-butanoylpiperazin-1-yl)-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-butanoylpiperazin-1-yl)-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-butanoylpiperazin-1-yl)-1-cyclopropyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-4-oxo-7-[4-(1-oxobutyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 7-(4-butanoylpiperazin-1-yl)-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-butyrylpiperazino)-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O

InChI

InChI=1S/C21H25N3O4/c1-2-3-19(25)23-10-8-22(9-11-23)15-6-7-16-18(12-15)24(14-4-5-14)13-17(20(16)26)21(27)28/h6-7,12-14H,2-5,8-11H2,1H3,(H,27,28)