2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 2-[4-(3-cyano-2-pyridyl)piperazine-1-carbonyl]benzoic acid CAS Name: 2-[[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-(3-cyanopyridin-2-yl)piperazine-1-carbonyl]benzoic acid Traditional Name: 2-[4-(3-cyano-2-pyridyl)piperazine-1-carbonyl]benzoic acid Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H16N4O3/c19-12-13-4-3-7-20-16(13)21-8-10-22(11-9-21)17(23)14-5-1-2-6-15(14)18(24)25/h1-7H,8-11H2,(H,24,25)