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

Systemtic Name: (4aS,8aR)-2-cycloheptyl-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: (4aS,8aR)-2-cycloheptyl-4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: (4aS,8aR)-2-cycloheptyl-4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: (4aS,8aR)-2-cycloheptyl-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: (4aS,8aR)-2-cycloheptyl-4-(7-methoxy-2,2-dimethyl-coumaran-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)C4C3CC=CC4)C5CCCCCC5)C

Isomeric SMILES

CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5)C

InChI

InChI=1S/C26H34N2O3/c1-26(2)16-21-19(14-15-22(30-3)24(21)31-26)23-18-12-8-9-13-20(18)25(29)28(27-23)17-10-6-4-5-7-11-17/h8-9,14-15,17-18,20H,4-7,10-13,16H2,1-3H3/t18-,20+/m0/s1