3-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: 3-[2-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: 3-[2-[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: 3-[2-keto-2-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethyl]phthalide Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H23N3O4/c1-14-11-15(21-27-14)13-22-7-4-8-23(10-9-22)19(24)12-18-16-5-2-3-6-17(16)20(25)26-18/h2-3,5-6,11,18H,4,7-10,12-13H2,1H3