3-[2-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: 3-[2-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: 3-[2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: 3-[2-keto-2-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]ethyl]phthalide Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H25N3O3/c1-16-6-4-7-17(23-16)15-24-10-5-11-25(13-12-24)21(26)14-20-18-8-2-3-9-19(18)22(27)28-20/h2-4,6-9,20H,5,10-15H2,1H3