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

Systemtic Name: 4-[[3-[(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-[4-(morpholine-4-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]-oxomethyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-[4-(morpholine-4-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-[4-(morpholine-4-carbonyl)-1,4-diazepane-1-carbonyl]benzyl]-2H-phthalazin-1-one Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)N2CCOCC2)C(=O)C3=CC(=CC=C3)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCN(C1)C(=O)N2CCOCC2)C(=O)C3=CC(=CC=C3)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C26H29N5O4/c32-24-22-8-2-1-7-21(22)23(27-28-24)18-19-5-3-6-20(17-19)25(33)29-9-4-10-30(12-11-29)26(34)31-13-15-35-16-14-31/h1-3,5-8,17H,4,9-16,18H2,(H,28,32)