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

Systemtic Name: 4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxo-ethyl]-2-methyl-phthalazin-1-one CAS Name: 4-[2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-2-oxoethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-keto-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethyl]-2-methyl-phthalazin-1-one Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-26-24(29)20-9-6-5-8-19(20)21(25-26)16-23(28)27-15-7-3-4-10-22(27)17-11-13-18(30-2)14-12-17/h5-6,8-9,11-14,22H,3-4,7,10,15-16H2,1-2H3/t22-/m1/s1