4-(2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-yl)-2-methyl-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-yl)-2-methyl-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(2-ethyl-2,7-dimethyl-3H-benzofuran-4-yl)-2-methyl-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(2-ethyl-2,7-dimethyl-3H-benzofuran-4-yl)-2-methyl-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(2-ethyl-2,7-dimethyl-3H-1-benzofuran-4-yl)-2-methyl-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(2-ethyl-2,7-dimethyl-coumaran-4-yl)-2-methyl-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C21H26N2O2 MolecularWeight: 338.44334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=C(C=CC(=C2O1)C)C3=NN(C(=O)C4C3CC=CC4)C)C

Isomeric SMILES

CCC1(CC2=C(C=CC(=C2O1)C)C3=NN(C(=O)C4C3CC=CC4)C)C

InChI

InChI=1S/C21H26N2O2/c1-5-21(3)12-17-15(11-10-13(2)19(17)25-21)18-14-8-6-7-9-16(14)20(24)23(4)22-18/h6-7,10-11,14,16H,5,8-9,12H2,1-4H3