4-(2,4-dimethylphenyl)-2,6-dimethyl-5-piperazin-1-ylcarbonyl-pyridine-3-carboxylic acid

Systemtic Name: 4-(2,4-dimethylphenyl)-2,6-dimethyl-5-piperazin-1-ylcarbonyl-pyridine-3-carboxylic acid Openeye Name: 4-(2,4-dimethylphenyl)-2,6-dimethyl-5-(piperazine-1-carbonyl)pyridine-3-carboxylic acid CAS Name: 4-(2,4-dimethylphenyl)-2,6-dimethyl-5-[oxo(1-piperazinyl)methyl]-3-pyridinecarboxylic acid IUPAC Name: 4-(2,4-dimethylphenyl)-2,6-dimethyl-5-(piperazine-1-carbonyl)pyridine-3-carboxylic acid Traditional Name: 4-(2,4-dimethylphenyl)-2,6-dimethyl-5-(piperazine-1-carbonyl)nicotinic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C(=NC(=C2C(=O)O)C)C)C(=O)N3CCNCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C(=NC(=C2C(=O)O)C)C)C(=O)N3CCNCC3)C

InChI

InChI=1S/C21H25N3O3/c1-12-5-6-16(13(2)11-12)19-17(20(25)24-9-7-22-8-10-24)14(3)23-15(4)18(19)21(26)27/h5-6,11,22H,7-10H2,1-4H3,(H,26,27)