3-[2-oxidanylidene-2-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-oxidanylidene-2-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-3H-2-benzofuran-1-one Openeye Name: 3-[2-oxo-2-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethyl]-3H-isobenzofuran-1-one CAS Name: 3-[2-oxo-2-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]ethyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-oxo-2-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-3H-2-benzofuran-1-one Traditional Name: 3-[2-keto-2-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]ethyl]phthalide Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2C3=CC=CC=C3C(=O)O2)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2C3=CC=CC=C3C(=O)O2)CC4=CC=CC=N4

InChI

InChI=1S/C21H23N3O3/c25-20(14-19-17-7-1-2-8-18(17)21(26)27-19)24-11-5-10-23(12-13-24)15-16-6-3-4-9-22-16/h1-4,6-9,19H,5,10-15H2