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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(2-pyridyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-(2-pyridinyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(2-pyridyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=CC=N4)OC

InChI

InChI=1S/C21H21N3O3/c1-26-17-11-10-14(13-18(17)27-2)20-15-7-3-4-8-16(15)21(25)24(23-20)19-9-5-6-12-22-19/h3-6,9-13,15-16H,7-8H2,1-2H3