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

Systemtic Name: 4-(2,5-dimethylphenyl)-2,6-dimethyl-5-(4-methylpiperazin-1-yl)carbonyl-pyridine-3-carboxylic acid Openeye Name: 4-(2,5-dimethylphenyl)-2,6-dimethyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylic acid CAS Name: 4-(2,5-dimethylphenyl)-2,6-dimethyl-5-[(4-methyl-1-piperazinyl)-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 4-(2,5-dimethylphenyl)-2,6-dimethyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxylic acid Traditional Name: 4-(2,5-dimethylphenyl)-2,6-dimethyl-5-(4-methylpiperazine-1-carbonyl)nicotinic acid Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=C(C(=NC(=C2C(=O)O)C)C)C(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=C(C(=NC(=C2C(=O)O)C)C)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C22H27N3O3/c1-13-6-7-14(2)17(12-13)20-18(15(3)23-16(4)19(20)22(27)28)21(26)25-10-8-24(5)9-11-25/h6-7,12H,8-11H2,1-5H3,(H,27,28)