4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]carbonyl-2-methyl-phthalazin-1-one

Systemtic Name: 4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCCC[C@@H]3C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H25N3O3/c1-25-22(27)19-9-6-5-8-18(19)21(24-25)23(28)26-15-7-3-4-10-20(26)16-11-13-17(29-2)14-12-16/h5-6,8-9,11-14,20H,3-4,7,10,15H2,1-2H3/t20-/m1/s1