(4aR,8aS)-4-[(3,4-dimethoxyphenyl)methyl]-4a,8a-dihydro-2H-phthalazin-1-one

Systemtic Name: (4aR,8aS)-4-[(3,4-dimethoxyphenyl)methyl]-4a,8a-dihydro-2H-phthalazin-1-one Openeye Name: (4aR,8aS)-4-[(3,4-dimethoxyphenyl)methyl]-4a,8a-dihydro-2H-phthalazin-1-one CAS Name: (4aR,8aS)-4-[(3,4-dimethoxyphenyl)methyl]-4a,8a-dihydro-2H-phthalazin-1-one IUPAC Name: (4aR,8aS)-4-[(3,4-dimethoxyphenyl)methyl]-4a,8a-dihydro-2H-phthalazin-1-one Traditional Name: (4aR,8aS)-4-veratryl-4a,8a-dihydro-2H-phthalazin-1-one Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NNC(=O)C3C2C=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NNC(=O)[C@@H]3[C@H]2C=CC=C3)OC

InChI

InChI=1S/C17H18N2O3/c1-21-15-8-7-11(10-16(15)22-2)9-14-12-5-3-4-6-13(12)17(20)19-18-14/h3-8,10,12-13H,9H2,1-2H3,(H,19,20)/t12-,13+/m1/s1