2-[[(4-fluoranyl-2-methyl-phenyl)amino]methyl]-6-piperazin-1-yl-pyridine-4-carboxylic acid

Systemtic Name: 2-[[(4-fluoranyl-2-methyl-phenyl)amino]methyl]-6-piperazin-1-yl-pyridine-4-carboxylic acid Openeye Name: 2-[(4-fluoro-2-methyl-anilino)methyl]-6-piperazin-1-yl-pyridine-4-carboxylic acid CAS Name: 2-[(4-fluoro-2-methylanilino)methyl]-6-(1-piperazinyl)-4-pyridinecarboxylic acid IUPAC Name: 2-[(4-fluoro-2-methylanilino)methyl]-6-piperazin-1-ylpyridine-4-carboxylic acid Traditional Name: 2-[(4-fluoro-2-methyl-anilino)methyl]-6-piperazino-isonicotinic acid Formula: C18H21FN4O2 MolecularWeight: 344.383343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NCC2=NC(=CC(=C2)C(=O)O)N3CCNCC3

Isomeric SMILES

CC1=C(C=CC(=C1)F)NCC2=NC(=CC(=C2)C(=O)O)N3CCNCC3

InChI

InChI=1S/C18H21FN4O2/c1-12-8-14(19)2-3-16(12)21-11-15-9-13(18(24)25)10-17(22-15)23-6-4-20-5-7-23/h2-3,8-10,20-21H,4-7,11H2,1H3,(H,24,25)