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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(2-pyridylmethyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-(2-pyridinylmethyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(2-pyridylmethyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CC4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CC4=CC=CC=N4)OC

InChI

InChI=1S/C22H23N3O3/c1-27-19-11-10-15(13-20(19)28-2)21-17-8-3-4-9-18(17)22(26)25(24-21)14-16-7-5-6-12-23-16/h3-7,10-13,17-18H,8-9,14H2,1-2H3