4-(azepan-1-ylcarbonyl)-2-(3-methoxyphenyl)phthalazin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-(3-methoxyphenyl)phthalazin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-(3-methoxyphenyl)phthalazin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-(3-methoxyphenyl)-1-phthalazinone IUPAC Name: 4-(azepane-1-carbonyl)-2-(3-methoxyphenyl)phthalazin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-(3-methoxyphenyl)phthalazin-1-one Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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