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

Systemtic Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-[(2-methylphenyl)carbonylamino]pyridine-3-carboxylic acid Openeye Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid CAS Name: 2-[4-(2-chlorophenyl)-1-piperazinyl]-5-[[(2-methylphenyl)-oxomethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid Traditional Name: 2-[4-(2-chlorophenyl)piperazino]-5-(o-toluoylamino)nicotinic acid Formula: C24H23ClN4O3 MolecularWeight: 450.91742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CN=C(C(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CN=C(C(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H23ClN4O3/c1-16-6-2-3-7-18(16)23(30)27-17-14-19(24(31)32)22(26-15-17)29-12-10-28(11-13-29)21-9-5-4-8-20(21)25/h2-9,14-15H,10-13H2,1H3,(H,27,30)(H,31,32)