1-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-pyridine-3-carboxylic acid CAS Name: 1-methyl-6-[4-(4-methyl-1-piperazinyl)phenyl]-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxopyridine-3-carboxylic acid Traditional Name: 2-keto-1-methyl-6-[4-(4-methylpiperazino)phenyl]nicotinic acid Formula: C18H21N3O3 MolecularWeight: 327.37764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C(=O)N3C)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C(=O)N3C)C(=O)O

InChI

InChI=1S/C18H21N3O3/c1-19-9-11-21(12-10-19)14-5-3-13(4-6-14)16-8-7-15(18(23)24)17(22)20(16)2/h3-8H,9-12H2,1-2H3,(H,23,24)