4-(azepan-1-ylcarbonyl)-2-(2-methoxyphenyl)phthalazin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-(2-methoxyphenyl)phthalazin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-(2-methoxyphenyl)-1-phthalazinone IUPAC Name: 4-(azepane-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H23N3O3/c1-28-19-13-7-6-12-18(19)25-21(26)17-11-5-4-10-16(17)20(23-25)22(27)24-14-8-2-3-9-15-24/h4-7,10-13H,2-3,8-9,14-15H2,1H3