6-azanyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-7-[4-(2-methoxyphenyl)-1-piperazinyl]-1-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-4-keto-7-[4-(2-methoxyphenyl)piperazino]-1-methyl-quinoline-3-carboxylic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=C4OC)N)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=C4OC)N)C(=O)O

InChI

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