(4aS,8aR)-4-(3,4-diethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one

Systemtic Name: (4aS,8aR)-4-(3,4-diethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one Openeye Name: (4aS,8aR)-4-(3,4-diethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one CAS Name: (4aS,8aR)-4-(3,4-diethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one IUPAC Name: (4aS,8aR)-4-(3,4-diethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one Traditional Name: (4aS,8aR)-4-(3,4-diethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NNC(=O)C3C2CC=CC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NNC(=O)[C@H]3[C@@H]2CC=CC3)OCC

InChI

InChI=1S/C18H22N2O3/c1-3-22-15-10-9-12(11-16(15)23-4-2)17-13-7-5-6-8-14(13)18(21)20-19-17/h5-6,9-11,13-14H,3-4,7-8H2,1-2H3,(H,20,21)/t13-,14+/m0/s1