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

Systemtic Name: (4aS,8aR)-2-cyclopentyl-4-(4-methoxy-3-oxidanyl-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: (4aS,8aR)-2-cyclopentyl-4-(3-hydroxy-4-methoxy-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: (4aS,8aR)-2-cyclopentyl-4-(3-hydroxy-4-methoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: (4aS,8aR)-2-cyclopentyl-4-(3-hydroxy-4-methoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: (4aS,8aR)-2-cyclopentyl-4-(3-hydroxy-4-methoxy-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCC4)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCC4)O

InChI

InChI=1S/C20H24N2O3/c1-25-18-11-10-13(12-17(18)23)19-15-8-4-5-9-16(15)20(24)22(21-19)14-6-2-3-7-14/h4-5,10-12,14-16,23H,2-3,6-9H2,1H3/t15-,16+/m0/s1