6-azanyl-1-(4-hydroxyphenyl)-8-methyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-(4-hydroxyphenyl)-8-methyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-1-(4-hydroxyphenyl)-8-methyl-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-1-(4-hydroxyphenyl)-8-methyl-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-(4-hydroxyphenyl)-8-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-1-(4-hydroxyphenyl)-4-keto-8-methyl-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCN(CC3)C)N)C(=O)C(=CN2C4=CC=C(C=C4)O)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCN(CC3)C)N)C(=O)C(=CN2C4=CC=C(C=C4)O)C(=O)O

InChI

InChI=1S/C22H24N4O4/c1-13-19-16(11-18(23)20(13)25-9-7-24(2)8-10-25)21(28)17(22(29)30)12-26(19)14-3-5-15(27)6-4-14/h3-6,11-12,27H,7-10,23H2,1-2H3,(H,29,30)