6-azanyl-1-methyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperidin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-methyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperidin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-amino-1-methyl-4-oxo-7-[4-(2-pyridyl)-1-piperidyl]quinoline-3-carboxylic acid CAS Name: 6-amino-1-methyl-4-oxo-7-[4-(2-pyridinyl)-1-piperidinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-methyl-4-oxo-7-(4-pyridin-2-ylpiperidin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-amino-4-keto-1-methyl-7-[4-(2-pyridyl)piperidino]quinoline-3-carboxylic acid Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)C4=CC=CC=N4)N)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)C4=CC=CC=N4)N)C(=O)O

InChI

InChI=1S/C21H22N4O3/c1-24-12-15(21(27)28)20(26)14-10-16(22)19(11-18(14)24)25-8-5-13(6-9-25)17-4-2-3-7-23-17/h2-4,7,10-13H,5-6,8-9,22H2,1H3,(H,27,28)