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

Systemtic Name: 5-[(4-chlorophenyl)carbonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-[(4-chlorobenzoyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-[[(4-chlorophenyl)-oxomethyl]amino]-2-[4-(2-cyanoethyl)-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[(4-chlorobenzoyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-[(4-chlorobenzoyl)amino]-2-[4-(2-cyanoethyl)piperazino]nicotinic acid Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=NC=C(C=C2C(=O)O)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1CCC#N)C2=NC=C(C=C2C(=O)O)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN5O3/c21-15-4-2-14(3-5-15)19(27)24-16-12-17(20(28)29)18(23-13-16)26-10-8-25(9-11-26)7-1-6-22/h2-5,12-13H,1,7-11H2,(H,24,27)(H,28,29)