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

Systemtic Name: 6-azanyl-1-methyl-4-oxidanylidene-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 6-amino-1-methyl-4-oxo-7-[4-(2-pyridylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-amino-1-methyl-4-oxo-7-[4-(2-pyridinylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-methyl-4-oxo-7-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 6-amino-4-keto-1-methyl-7-[4-(2-pyridylmethyl)piperazino]quinoline-3-carboxylic acid Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=CC=CC=N4)N)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=CC=CC=N4)N)C(=O)O

InChI

InChI=1S/C21H23N5O3/c1-24-13-16(21(28)29)20(27)15-10-17(22)19(11-18(15)24)26-8-6-25(7-9-26)12-14-4-2-3-5-23-14/h2-5,10-11,13H,6-9,12,22H2,1H3,(H,28,29)