4-[3,5-bis(chloranyl)phenyl]-2,6-dimethyl-5-piperazin-1-ylcarbonyl-pyridine-3-carboxylic acid

Systemtic Name: 4-[3,5-bis(chloranyl)phenyl]-2,6-dimethyl-5-piperazin-1-ylcarbonyl-pyridine-3-carboxylic acid Openeye Name: 4-(3,5-dichlorophenyl)-2,6-dimethyl-5-(piperazine-1-carbonyl)pyridine-3-carboxylic acid CAS Name: 4-(3,5-dichlorophenyl)-2,6-dimethyl-5-[oxo(1-piperazinyl)methyl]-3-pyridinecarboxylic acid IUPAC Name: 4-(3,5-dichlorophenyl)-2,6-dimethyl-5-(piperazine-1-carbonyl)pyridine-3-carboxylic acid Traditional Name: 4-(3,5-dichlorophenyl)-2,6-dimethyl-5-(piperazine-1-carbonyl)nicotinic acid Formula: C19H19Cl2N3O3 MolecularWeight: 408.27846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)N2CCNCC2)C3=CC(=CC(=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)N2CCNCC2)C3=CC(=CC(=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C19H19Cl2N3O3/c1-10-15(18(25)24-5-3-22-4-6-24)17(16(19(26)27)11(2)23-10)12-7-13(20)9-14(21)8-12/h7-9,22H,3-6H2,1-2H3,(H,26,27)