4-azanyl-5-[4-(3-fluorophenyl)piperazin-1-yl]carbonyl-6-methoxy-2-methyl-pyridine-3-carboxylic acid

Systemtic Name: 4-azanyl-5-[4-(3-fluorophenyl)piperazin-1-yl]carbonyl-6-methoxy-2-methyl-pyridine-3-carboxylic acid Openeye Name: 4-amino-5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-6-methoxy-2-methyl-pyridine-3-carboxylic acid CAS Name: 4-amino-5-[[4-(3-fluorophenyl)-1-piperazinyl]-oxomethyl]-6-methoxy-2-methyl-3-pyridinecarboxylic acid IUPAC Name: 4-amino-5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-6-methoxy-2-methylpyridine-3-carboxylic acid Traditional Name: 4-amino-5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-6-methoxy-2-methyl-nicotinic acid Formula: C19H21FN4O4 MolecularWeight: 388.392843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1C(=O)O)N)C(=O)N2CCN(CC2)C3=CC(=CC=C3)F)OC

Isomeric SMILES

CC1=NC(=C(C(=C1C(=O)O)N)C(=O)N2CCN(CC2)C3=CC(=CC=C3)F)OC

InChI

InChI=1S/C19H21FN4O4/c1-11-14(19(26)27)16(21)15(17(22-11)28-2)18(25)24-8-6-23(7-9-24)13-5-3-4-12(20)10-13/h3-5,10H,6-9H2,1-2H3,(H2,21,22)(H,26,27)