3-oxidanyl-4-[2-phenyl-6-(pyridin-3-ylmethyl)phenyl]cyclobut-3-ene-1,2-dione hydrochloride

Systemtic Name: 3-oxidanyl-4-[2-phenyl-6-(pyridin-3-ylmethyl)phenyl]cyclobut-3-ene-1,2-dione hydrochloride Openeye Name: 3-hydroxy-4-[2-phenyl-6-(3-pyridylmethyl)phenyl]cyclobut-3-ene-1,2-dione hydrochloride CAS Name: 3-hydroxy-4-[2-phenyl-6-(3-pyridinylmethyl)phenyl]cyclobut-3-ene-1,2-dione hydrochloride IUPAC Name: 3-hydroxy-4-[2-phenyl-6-(pyridin-3-ylmethyl)phenyl]cyclobut-3-ene-1,2-dione hydrochloride Traditional Name: 3-hydroxy-4-[2-phenyl-6-(3-pyridylmethyl)phenyl]cyclobut-3-ene-1,2-quinone hydrochloride Formula: C22H16ClNO3 MolecularWeight: 377.82034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=CC=C2)CC3=CN=CC=C3)C4=C(C(=O)C4=O)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=CC=C2)CC3=CN=CC=C3)C4=C(C(=O)C4=O)O.Cl

InChI

InChI=1S/C22H15NO3.ClH/c24-20-19(21(25)22(20)26)18-16(12-14-6-5-11-23-13-14)9-4-10-17(18)15-7-2-1-3-8-15;/h1-11,13,24H,12H2;1H