7-(azepan-1-ylmethyl)-6-oxidanyl-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one

Systemtic Name: 7-(azepan-1-ylmethyl)-6-oxidanyl-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one Openeye Name: 7-(azepan-1-ylmethyl)-6-hydroxy-2-(4-pyridylmethylene)benzofuran-3-one CAS Name: 7-(1-azepanylmethyl)-6-hydroxy-2-(pyridin-4-ylmethylidene)-3-benzofuranone IUPAC Name: 7-(azepan-1-ylmethyl)-6-hydroxy-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one Traditional Name: 7-(azepan-1-ylmethyl)-6-hydroxy-2-(4-pyridylmethylene)coumaran-3-one Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)O

Isomeric SMILES

C1CCCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)O

InChI

InChI=1S/C21H22N2O3/c24-18-6-5-16-20(25)19(13-15-7-9-22-10-8-15)26-21(16)17(18)14-23-11-3-1-2-4-12-23/h5-10,13,24H,1-4,11-12,14H2