4-(3,4-dimethoxyphenyl)-2-(1-phenethylpiperidin-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-(1-phenethylpiperidin-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(1-phenethyl-4-piperidyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-(1-phenethyl-4-piperidinyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-(1-phenethylpiperidin-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(1-phenethyl-4-piperidyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C29H35N3O3 MolecularWeight: 473.6065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)CCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)CCC5=CC=CC=C5)OC

InChI

InChI=1S/C29H35N3O3/c1-34-26-13-12-22(20-27(26)35-2)28-24-10-6-7-11-25(24)29(33)32(30-28)23-15-18-31(19-16-23)17-14-21-8-4-3-5-9-21/h3-9,12-13,20,23-25H,10-11,14-19H2,1-2H3