4-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-2H-phthalazin-1-one hydrochloride

Systemtic Name: 4-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-2H-phthalazin-1-one hydrochloride Openeye Name: 4-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl]-2H-phthalazin-1-one hydrochloride CAS Name: 4-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-2H-phthalazin-1-one hydrochloride IUPAC Name: 4-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-2H-phthalazin-1-one hydrochloride Traditional Name: 4-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl]-2H-phthalazin-1-one hydrochloride Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2CCC(CC2)C3=NNC(=O)C4=CC=CC=C43.Cl

Isomeric SMILES

COC1=CC=C(C=C1)CCN2CCC(CC2)C3=NNC(=O)C4=CC=CC=C43.Cl

InChI

InChI=1S/C22H25N3O2.ClH/c1-27-18-8-6-16(7-9-18)10-13-25-14-11-17(12-15-25)21-19-4-2-3-5-20(19)22(26)24-23-21;/h2-9,17H,10-15H2,1H3,(H,24,26);1H