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

Systemtic Name: 2-[2-(1-methanoylpiperidin-4-yl)-2-methyl-piperazin-1-yl]-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 2-[2-(1-formyl-4-piperidyl)-2-methyl-piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 2-[2-(1-formyl-4-piperidinyl)-2-methyl-1-piperazinyl]-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 2-[2-(1-formylpiperidin-4-yl)-2-methylpiperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 2-[2-(1-formyl-4-piperidyl)-2-methyl-piperazino]-4-keto-1H-quinoline-3-carboxylic acid Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNCCN1C2=C(C(=O)C3=CC=CC=C3N2)C(=O)O)C4CCN(CC4)C=O

Isomeric SMILES

CC1(CNCCN1C2=C(C(=O)C3=CC=CC=C3N2)C(=O)O)C4CCN(CC4)C=O

InChI

InChI=1S/C21H26N4O4/c1-21(14-6-9-24(13-26)10-7-14)12-22-8-11-25(21)19-17(20(28)29)18(27)15-4-2-3-5-16(15)23-19/h2-5,13-14,22H,6-12H2,1H3,(H,23,27)(H,28,29)