2-[2-methyl-2-(4-methylpiperazin-1-yl)piperazin-1-yl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 2-[2-methyl-2-(4-methylpiperazin-1-yl)piperazin-1-yl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 2-[2-methyl-2-(4-methylpiperazin-1-yl)piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 2-[2-methyl-2-(4-methyl-1-piperazinyl)-1-piperazinyl]-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 2-[2-methyl-2-(4-methylpiperazin-1-yl)piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 4-keto-2-[2-methyl-2-(4-methylpiperazino)piperazino]-1H-quinoline-3-carboxylic acid Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNCCN1C2=C(C(=O)C3=CC=CC=C3N2)C(=O)O)N4CCN(CC4)C

Isomeric SMILES

CC1(CNCCN1C2=C(C(=O)C3=CC=CC=C3N2)C(=O)O)N4CCN(CC4)C

InChI

InChI=1S/C20H27N5O3/c1-20(24-11-9-23(2)10-12-24)13-21-7-8-25(20)18-16(19(27)28)17(26)14-5-3-4-6-15(14)22-18/h3-6,21H,7-13H2,1-2H3,(H,22,26)(H,27,28)