3,3-bis(pyridin-4-ylmethyl)-1-benzofuran-2-one dihydrochloride

Systemtic Name: 3,3-bis(pyridin-4-ylmethyl)-1-benzofuran-2-one dihydrochloride Openeye Name: 3,3-bis(4-pyridylmethyl)benzofuran-2-one dihydrochloride CAS Name: 3,3-bis(pyridin-4-ylmethyl)-2-benzofuranone dihydrochloride IUPAC Name: 3,3-bis(pyridin-4-ylmethyl)-1-benzofuran-2-one dihydrochloride Traditional Name: 3,3-bis(4-pyridylmethyl)coumaran-2-one dihydrochloride Formula: C20H18Cl2N2O2 MolecularWeight: 389.27512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)O2)(CC3=CC=NC=C3)CC4=CC=NC=C4.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(C(=O)O2)(CC3=CC=NC=C3)CC4=CC=NC=C4.Cl.Cl

InChI

InChI=1S/C20H16N2O2.2ClH/c23-19-20(13-15-5-9-21-10-6-15,14-16-7-11-22-12-8-16)17-3-1-2-4-18(17)24-19;;/h1-12H,13-14H2;2*1H