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

Systemtic Name: 3-[2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: 3-[2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: 3-[2-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: 3-[2-keto-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethyl]phthalide Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H24N4O3/c1-22-10-7-21-18(22)14-23-8-4-9-24(12-11-23)19(25)13-17-15-5-2-3-6-16(15)20(26)27-17/h2-3,5-7,10,17H,4,8-9,11-14H2,1H3