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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-(4-imidazol-1-ylbutyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(4-imidazol-1-ylbutyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-[4-(1-imidazolyl)butyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-(4-imidazol-1-ylbutyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(4-imidazol-1-ylbutyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCN4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCN4C=CN=C4)OC

InChI

InChI=1S/C23H28N4O3/c1-29-20-10-9-17(15-21(20)30-2)22-18-7-3-4-8-19(18)23(28)27(25-22)13-6-5-12-26-14-11-24-16-26/h3-4,9-11,14-16,18-19H,5-8,12-13H2,1-2H3