4-(3,4-dimethoxyphenyl)-2-(6-imidazol-1-ylhexyl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-(6-imidazol-1-ylhexyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(6-imidazol-1-ylhexyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-[6-(1-imidazolyl)hexyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-(6-imidazol-1-ylhexyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(6-imidazol-1-ylhexyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCCCN4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCCCN4C=CN=C4)OC

InChI

InChI=1S/C25H32N4O3/c1-31-22-12-11-19(17-23(22)32-2)24-20-9-5-6-10-21(20)25(30)29(27-24)15-8-4-3-7-14-28-16-13-26-18-28/h5-6,11-13,16-18,20-21H,3-4,7-10,14-15H2,1-2H3