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

Systemtic Name: N-[[5-(2-ethanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[[5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[[5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[[5-(2-acetylphenyl)coumaran-2-yl]methyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C2=CC3=C(C=C2)OC(C3)CNC(=O)C4=NN(C(=O)C5=CC=CC=C54)C

Isomeric SMILES

CC(=O)C1=CC=CC=C1C2=CC3=C(C=C2)OC(C3)CNC(=O)C4=NN(C(=O)C5=CC=CC=C54)C

InChI

InChI=1S/C27H23N3O4/c1-16(31)20-7-3-4-8-21(20)17-11-12-24-18(13-17)14-19(34-24)15-28-26(32)25-22-9-5-6-10-23(22)27(33)30(2)29-25/h3-13,19H,14-15H2,1-2H3,(H,28,32)