4-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]-2-methyl-phthalazin-1-one CAS Name: 4-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-2-methylphthalazin-1-one Traditional Name: 4-[2-keto-2-(4-p-anisyl-1,4-diazepan-1-yl)ethyl]-2-methyl-phthalazin-1-one Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCCN(CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCCN(CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H28N4O3/c1-26-24(30)21-7-4-3-6-20(21)22(25-26)16-23(29)28-13-5-12-27(14-15-28)17-18-8-10-19(31-2)11-9-18/h3-4,6-11H,5,12-17H2,1-2H3