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

Systemtic Name: 6-butyl-2-[methyl-[4-(4-methylpiperazin-1-yl)phenyl]amino]pyridine-3-carboxylic acid Openeye Name: 6-butyl-2-[N-methyl-4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxylic acid CAS Name: 6-butyl-2-[N-methyl-4-(4-methyl-1-piperazinyl)anilino]-3-pyridinecarboxylic acid IUPAC Name: 6-butyl-2-[N-methyl-4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxylic acid Traditional Name: 6-butyl-2-[N-methyl-4-(4-methylpiperazino)anilino]nicotinic acid Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C(=O)O)N(C)C2=CC=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C(=O)O)N(C)C2=CC=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C22H30N4O2/c1-4-5-6-17-7-12-20(22(27)28)21(23-17)25(3)18-8-10-19(11-9-18)26-15-13-24(2)14-16-26/h7-12H,4-6,13-16H2,1-3H3,(H,27,28)