N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[(5-ethoxy-2-methyl-coumaran-6-yl)methyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4/c1-3-33-23-14-18-13-17(2)34-24(18)15-19(23)16-28-26(31)25-21-11-7-8-12-22(21)27(32)30(29-25)20-9-5-4-6-10-20/h4-12,14-15,17H,3,13,16H2,1-2H3,(H,28,31)