4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-2-piperidin-4-yl-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride

Systemtic Name: 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-2-piperidin-4-yl-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride Openeye Name: 4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-2-(4-piperidyl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride CAS Name: 4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-2-(4-piperidinyl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride IUPAC Name: 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-2-piperidin-4-yl-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride Traditional Name: 4-(7-methoxy-2,2-dimethyl-coumaran-4-yl)-2-(4-piperidyl)-4a,5,8,8a-tetrahydrophthalazin-1-one hydrochloride Formula: C24H32ClN3O3 MolecularWeight: 445.98218

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)C4C3CC=CC4)C5CCNCC5)C.Cl

Isomeric SMILES

CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)C4C3CC=CC4)C5CCNCC5)C.Cl

InChI

InChI=1S/C24H31N3O3.ClH/c1-24(2)14-19-17(8-9-20(29-3)22(19)30-24)21-16-6-4-5-7-18(16)23(28)27(26-21)15-10-12-25-13-11-15;/h4-5,8-9,15-16,18,25H,6-7,10-14H2,1-3H3;1H