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

Systemtic Name: (4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-(1-phenethylpiperidin-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride Openeye Name: (4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-(1-phenethyl-4-piperidyl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride CAS Name: (4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-(1-phenethyl-4-piperidinyl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride IUPAC Name: (4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-(1-phenethylpiperidin-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride Traditional Name: (4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-(1-phenethyl-4-piperidyl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride Formula: C29H36ClN3O3 MolecularWeight: 510.06744

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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.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)CCC5=CC=CC=C5)OC.Cl

InChI

InChI=1S/C29H35N3O3.ClH/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;1H/t24-,25+;/m0./s1