4-(3-chloranyl-4-methoxy-phenyl)-2-(1-oxidanylidene-3H-2-benzofuran-5-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3-chloranyl-4-methoxy-phenyl)-2-(1-oxidanylidene-3H-2-benzofuran-5-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3-chloro-4-methoxy-phenyl)-2-(1-oxo-3H-isobenzofuran-5-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3-chloro-4-methoxyphenyl)-2-(1-oxo-3H-isobenzofuran-5-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3-chloro-4-methoxyphenyl)-2-(1-oxo-3H-2-benzofuran-5-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3-chloro-4-methoxy-phenyl)-2-(1-ketophthalan-5-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C23H19ClN2O4 MolecularWeight: 422.86096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC5=C(C=C4)C(=O)OC5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC5=C(C=C4)C(=O)OC5)Cl

InChI

InChI=1S/C23H19ClN2O4/c1-29-20-9-6-13(11-19(20)24)21-17-4-2-3-5-18(17)22(27)26(25-21)15-7-8-16-14(10-15)12-30-23(16)28/h2-3,6-11,17-18H,4-5,12H2,1H3