N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[2-(2,2-dimethylcoumaran-7-yl)oxyethyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCCNC(=O)C3=NNC(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCCNC(=O)C3=NNC(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H21N3O4/c1-21(2)12-13-6-5-9-16(18(13)28-21)27-11-10-22-20(26)17-14-7-3-4-8-15(14)19(25)24-23-17/h3-9H,10-12H2,1-2H3,(H,22,26)(H,24,25)