2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-1H-quinoline-6-carboxylic acid

Systemtic Name: 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-1H-quinoline-6-carboxylic acid Openeye Name: 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylic acid CAS Name: 2-methyl-3-[(4-methyl-1-piperazinyl)methyl]-4-oxo-1H-quinoline-6-carboxylic acid IUPAC Name: 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylic acid Traditional Name: 4-keto-2-methyl-3-[(4-methylpiperazino)methyl]-1H-quinoline-6-carboxylic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)O)CN3CCN(CC3)C

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)O)CN3CCN(CC3)C

InChI

InChI=1S/C17H21N3O3/c1-11-14(10-20-7-5-19(2)6-8-20)16(21)13-9-12(17(22)23)3-4-15(13)18-11/h3-4,9H,5-8,10H2,1-2H3,(H,18,21)(H,22,23)