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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-piperidin-4-yl-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(4-piperidyl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride CAS Name: 4-(3,4-dimethoxyphenyl)-2-(4-piperidinyl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-piperidin-4-yl-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(4-piperidyl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCNCC4)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCNCC4)OC.Cl

InChI

InChI=1S/C21H27N3O3.ClH/c1-26-18-8-7-14(13-19(18)27-2)20-16-5-3-4-6-17(16)21(25)24(23-20)15-9-11-22-12-10-15;/h3-4,7-8,13,15-17,22H,5-6,9-12H2,1-2H3;1H