4-(3,4-dimethoxyphenyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-2-[1-(2-pyridylmethyl)-4-piperidyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-[1-(2-pyridinylmethyl)-4-piperidinyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[1-(2-pyridylmethyl)-4-piperidyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)CC5=CC=CC=N5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)CC5=CC=CC=N5)OC

InChI

InChI=1S/C27H32N4O3/c1-33-24-11-10-19(17-25(24)34-2)26-22-8-3-4-9-23(22)27(32)31(29-26)21-12-15-30(16-13-21)18-20-7-5-6-14-28-20/h3-7,10-11,14,17,21-23H,8-9,12-13,15-16,18H2,1-2H3