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

Systemtic Name: 7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-methoxyphenyl)-1-piperazinyl]-1-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 4-keto-7-[4-(2-methoxyphenyl)piperazino]-1-methyl-quinoline-3-carboxylic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=C(C=C2)N3CCN(CC3)C4=CC=CC=C4OC)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=C(C=C2)N3CCN(CC3)C4=CC=CC=C4OC)C(=O)O

InChI

InChI=1S/C22H23N3O4/c1-23-14-17(22(27)28)21(26)16-8-7-15(13-19(16)23)24-9-11-25(12-10-24)18-5-3-4-6-20(18)29-2/h3-8,13-14H,9-12H2,1-2H3,(H,27,28)