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

Systemtic Name: 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-2-(phenylmethyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 2-benzyl-4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-2-(phenylmethyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 2-benzyl-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 2-benzyl-4-(7-methoxy-2,2-dimethyl-coumaran-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C26H28N2O3 MolecularWeight: 416.51212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)C4C3CC=CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)C4C3CC=CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C26H28N2O3/c1-26(2)15-21-19(13-14-22(30-3)24(21)31-26)23-18-11-7-8-12-20(18)25(29)28(27-23)16-17-9-5-4-6-10-17/h4-10,13-14,18,20H,11-12,15-16H2,1-3H3