4-(4-ethoxy-2,2-diethyl-3H-1-benzofuran-7-yl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one

Systemtic Name: 4-(4-ethoxy-2,2-diethyl-3H-1-benzofuran-7-yl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one Openeye Name: 4-(4-ethoxy-2,2-diethyl-3H-benzofuran-7-yl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one CAS Name: 4-(4-ethoxy-2,2-diethyl-3H-benzofuran-7-yl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one IUPAC Name: 4-(4-ethoxy-2,2-diethyl-3H-1-benzofuran-7-yl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one Traditional Name: 4-(4-ethoxy-2,2-diethyl-coumaran-7-yl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=C(C=CC(=C2O1)C3=NNC(=O)C4C3CCCC4)OCC)CC

Isomeric SMILES

CCC1(CC2=C(C=CC(=C2O1)C3=NNC(=O)C4C3CCCC4)OCC)CC

InChI

InChI=1S/C22H30N2O3/c1-4-22(5-2)13-17-18(26-6-3)12-11-16(20(17)27-22)19-14-9-7-8-10-15(14)21(25)24-23-19/h11-12,14-15H,4-10,13H2,1-3H3,(H,24,25)