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

Systemtic Name: 4-[[2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]carbonyl]pyridin-4-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[2-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-4-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-oxomethyl]-4-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[2-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyridin-4-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[2-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-4-pyridyl]methyl]-2H-phthalazin-1-one Formula: C22H25N5O3 MolecularWeight: 407.4656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3/c28-13-12-26-8-3-9-27(11-10-26)22(30)20-15-16(6-7-23-20)14-19-17-4-1-2-5-18(17)21(29)25-24-19/h1-2,4-7,15,28H,3,8-14H2,(H,25,29)