4-(azepan-1-ylcarbonyl)-2-(3,5-dimethoxyphenyl)phthalazin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-(3,5-dimethoxyphenyl)phthalazin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-(3,5-dimethoxyphenyl)phthalazin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-(3,5-dimethoxyphenyl)-1-phthalazinone IUPAC Name: 4-(azepane-1-carbonyl)-2-(3,5-dimethoxyphenyl)phthalazin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-(3,5-dimethoxyphenyl)phthalazin-1-one Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCCCCC4)OC

InChI

InChI=1S/C23H25N3O4/c1-29-17-13-16(14-18(15-17)30-2)26-22(27)20-10-6-5-9-19(20)21(24-26)23(28)25-11-7-3-4-8-12-25/h5-6,9-10,13-15H,3-4,7-8,11-12H2,1-2H3