4-(3-chlorophenyl)-2,6-dimethyl-5-(4-methylpiperazin-1-yl)carbonyl-pyridine-3-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)-2,6-dimethyl-5-(4-methylpiperazin-1-yl)carbonyl-pyridine-3-carboxylic acid Openeye Name: 4-(3-chlorophenyl)-2,6-dimethyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylic acid CAS Name: 4-(3-chlorophenyl)-2,6-dimethyl-5-[(4-methyl-1-piperazinyl)-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 4-(3-chlorophenyl)-2,6-dimethyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylic acid Traditional Name: 4-(3-chlorophenyl)-2,6-dimethyl-5-(4-methylpiperazine-1-carbonyl)nicotinic acid Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)N2CCN(CC2)C)C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)N2CCN(CC2)C)C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C20H22ClN3O3/c1-12-16(19(25)24-9-7-23(3)8-10-24)18(14-5-4-6-15(21)11-14)17(20(26)27)13(2)22-12/h4-6,11H,7-10H2,1-3H3,(H,26,27)