4-(3,4-diethoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-diethoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-diethoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-diethoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-diethoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C24H26N2O3 MolecularWeight: 390.47484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=CC=C4)OCC

InChI

InChI=1S/C24H26N2O3/c1-3-28-21-15-14-17(16-22(21)29-4-2)23-19-12-8-9-13-20(19)24(27)26(25-23)18-10-6-5-7-11-18/h5-11,14-16,19-20H,3-4,12-13H2,1-2H3