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

Systemtic Name: 5-benzamido-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-benzamido-2-[3-methyl-4-(m-tolyl)piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-benzamido-2-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-benzamido-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-benzamido-2-[3-methyl-4-(m-tolyl)piperazino]nicotinic acid Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C3=NC=C(C=C3C(=O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C3=NC=C(C=C3C(=O)O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3/c1-17-7-6-10-21(13-17)29-12-11-28(16-18(29)2)23-22(25(31)32)14-20(15-26-23)27-24(30)19-8-4-3-5-9-19/h3-10,13-15,18H,11-12,16H2,1-2H3,(H,27,30)(H,31,32)