(11aR)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione

Systemtic Name: (11aR)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione Openeye Name: (11aR)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione CAS Name: (11aR)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione IUPAC Name: (11aR)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione Traditional Name: (11aR)-2-homoveratryl-3,6,11,11a-tetrahydropyrazin[1,2-b]isoquinoline-1,4-quinone Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC(=O)N3CC4=CC=CC=C4CC3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC(=O)N3CC4=CC=CC=C4C[C@@H]3C2=O)OC

InChI

InChI=1S/C22H24N2O4/c1-27-19-8-7-15(11-20(19)28-2)9-10-23-14-21(25)24-13-17-6-4-3-5-16(17)12-18(24)22(23)26/h3-8,11,18H,9-10,12-14H2,1-2H3/t18-/m1/s1