8-butyl-1-ethyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 8-butyl-1-ethyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 8-butyl-1-ethyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 8-butyl-1-ethyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-butyl-1-ethyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 8-butyl-1-ethyl-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)CC)N3CCNCC3

Isomeric SMILES

CCCCC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)CC)N3CCNCC3

InChI

InChI=1S/C20H27N3O3/c1-3-5-6-14-17(23-11-9-21-10-12-23)8-7-15-18(14)22(4-2)13-16(19(15)24)20(25)26/h7-8,13,21H,3-6,9-12H2,1-2H3,(H,25,26)