4-(3,4-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-[2-(1-imidazolyl)ethyl]-1-phthalazinone IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCN4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCN4C=CN=C4)OC

InChI

InChI=1S/C21H20N4O3/c1-27-18-8-7-15(13-19(18)28-2)20-16-5-3-4-6-17(16)21(26)25(23-20)12-11-24-10-9-22-14-24/h3-10,13-14H,11-12H2,1-2H3