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

Systemtic Name: 1-ethyl-6-[4-(2-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-ethyl-6-[4-(2-methylpiperazin-1-yl)phenyl]-4-oxo-pyridine-3-carboxylic acid CAS Name: 1-ethyl-6-[4-(2-methyl-1-piperazinyl)phenyl]-4-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-ethyl-6-[4-(2-methylpiperazin-1-yl)phenyl]-4-oxopyridine-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-6-[4-(2-methylpiperazino)phenyl]nicotinic acid Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C=C1C2=CC=C(C=C2)N3CCNCC3C)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C=C1C2=CC=C(C=C2)N3CCNCC3C)C(=O)O

InChI

InChI=1S/C19H23N3O3/c1-3-21-12-16(19(24)25)18(23)10-17(21)14-4-6-15(7-5-14)22-9-8-20-11-13(22)2/h4-7,10,12-13,20H,3,8-9,11H2,1-2H3,(H,24,25)