4-[[3-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[3-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-oxomethyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]benzyl]-2H-phthalazin-1-one Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43)CCO

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43)CCO

InChI

InChI=1S/C23H26N4O3/c28-14-13-26-9-4-10-27(12-11-26)23(30)18-6-3-5-17(15-18)16-21-19-7-1-2-8-20(19)22(29)25-24-21/h1-3,5-8,15,28H,4,9-14,16H2,(H,25,29)