2-[4-(4-methylpentan-2-yl)piperazin-1-yl]-5-[(4-methylphenyl)carbonylamino]pyridine-3-carboxylic acid

Systemtic Name: 2-[4-(4-methylpentan-2-yl)piperazin-1-yl]-5-[(4-methylphenyl)carbonylamino]pyridine-3-carboxylic acid Openeye Name: 2-[4-(1,3-dimethylbutyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid CAS Name: 2-[4-(4-methylpentan-2-yl)-1-piperazinyl]-5-[[(4-methylphenyl)-oxomethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 5-[(4-methylbenzoyl)amino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-[4-(1,3-dimethylbutyl)piperazino]-5-(p-toluoylamino)nicotinic acid Formula: C24H32N4O3 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CN=C(C(=C2)C(=O)O)N3CCN(CC3)C(C)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CN=C(C(=C2)C(=O)O)N3CCN(CC3)C(C)CC(C)C

InChI

InChI=1S/C24H32N4O3/c1-16(2)13-18(4)27-9-11-28(12-10-27)22-21(24(30)31)14-20(15-25-22)26-23(29)19-7-5-17(3)6-8-19/h5-8,14-16,18H,9-13H2,1-4H3,(H,26,29)(H,30,31)