(4aS,8aR)-2-cycloheptyl-4-(4-methoxy-3-oxidanyl-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: (4aS,8aR)-2-cycloheptyl-4-(4-methoxy-3-oxidanyl-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: (4aS,8aR)-2-cycloheptyl-4-(3-hydroxy-4-methoxy-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: (4aS,8aR)-2-cycloheptyl-4-(3-hydroxy-4-methoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: (4aS,8aR)-2-cycloheptyl-4-(3-hydroxy-4-methoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: (4aS,8aR)-2-cycloheptyl-4-(3-hydroxy-4-methoxy-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4)O

InChI

InChI=1S/C22H28N2O3/c1-27-20-13-12-15(14-19(20)25)21-17-10-6-7-11-18(17)22(26)24(23-21)16-8-4-2-3-5-9-16/h6-7,12-14,16-18,25H,2-5,8-11H2,1H3/t17-,18+/m0/s1