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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-2-(4-ethoxyphenyl)phthalazin-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-(4-ethoxyphenyl)phthalazin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-2-(4-ethoxyphenyl)-1-phthalazinone IUPAC Name: 4-(azepane-1-carbonyl)-2-(4-ethoxyphenyl)phthalazin-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-p-phenetyl-phthalazin-1-one Formula: C23H25N3O3 MolecularWeight: 391.4629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O3/c1-2-29-18-13-11-17(12-14-18)26-22(27)20-10-6-5-9-19(20)21(24-26)23(28)25-15-7-3-4-8-16-25/h5-6,9-14H,2-4,7-8,15-16H2,1H3