6,7-dimethoxy-2-[2-[4-(phenylmethyl)piperidin-1-yl]ethyl]phthalazin-1-one hydrochloride

Systemtic Name: 6,7-dimethoxy-2-[2-[4-(phenylmethyl)piperidin-1-yl]ethyl]phthalazin-1-one hydrochloride Openeye Name: 2-[2-(4-benzyl-1-piperidyl)ethyl]-6,7-dimethoxy-phthalazin-1-one hydrochloride CAS Name: 6,7-dimethoxy-2-[2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-1-phthalazinone hydrochloride IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)ethyl]-6,7-dimethoxyphthalazin-1-one hydrochloride Traditional Name: 2-[2-(4-benzylpiperidino)ethyl]-6,7-dimethoxy-phthalazin-1-one hydrochloride Formula: C24H30ClN3O3 MolecularWeight: 443.9663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=NN(C2=O)CCN3CCC(CC3)CC4=CC=CC=C4)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C=NN(C2=O)CCN3CCC(CC3)CC4=CC=CC=C4)OC.Cl

InChI

InChI=1S/C24H29N3O3.ClH/c1-29-22-15-20-17-25-27(24(28)21(20)16-23(22)30-2)13-12-26-10-8-19(9-11-26)14-18-6-4-3-5-7-18;/h3-7,15-17,19H,8-14H2,1-2H3;1H