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

Systemtic Name: 6-butyl-2-[(4-piperazin-1-ylphenyl)amino]pyridine-3-carboxylic acid Openeye Name: 6-butyl-2-(4-piperazin-1-ylanilino)pyridine-3-carboxylic acid CAS Name: 6-butyl-2-[4-(1-piperazinyl)anilino]-3-pyridinecarboxylic acid IUPAC Name: 6-butyl-2-(4-piperazin-1-ylanilino)pyridine-3-carboxylic acid Traditional Name: 6-butyl-2-(4-piperazinoanilino)nicotinic acid Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C(=O)O)NC2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C(=O)O)NC2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C20H26N4O2/c1-2-3-4-15-7-10-18(20(25)26)19(22-15)23-16-5-8-17(9-6-16)24-13-11-21-12-14-24/h5-10,21H,2-4,11-14H2,1H3,(H,22,23)(H,25,26)