6-butyl-2-[methyl-(4-piperazin-1-ylphenyl)amino]pyridine-3-carboxylic acid

Systemtic Name: 6-butyl-2-[methyl-(4-piperazin-1-ylphenyl)amino]pyridine-3-carboxylic acid Openeye Name: 6-butyl-2-(N-methyl-4-piperazin-1-yl-anilino)pyridine-3-carboxylic acid CAS Name: 6-butyl-2-[N-methyl-4-(1-piperazinyl)anilino]-3-pyridinecarboxylic acid IUPAC Name: 6-butyl-2-(N-methyl-4-piperazin-1-ylanilino)pyridine-3-carboxylic acid Traditional Name: 6-butyl-2-(N-methyl-4-piperazino-anilino)nicotinic acid Formula: C21H28N4O2 MolecularWeight: 368.47262

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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)N3CCNCC3

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C(=O)O)N(C)C2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C21H28N4O2/c1-3-4-5-16-6-11-19(21(26)27)20(23-16)24(2)17-7-9-18(10-8-17)25-14-12-22-13-15-25/h6-11,22H,3-5,12-15H2,1-2H3,(H,26,27)