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

Systemtic Name: 4-[[3-(1,4-diazepan-1-ylcarbonyl)phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-(1,4-diazepane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[1,4-diazepan-1-yl(oxo)methyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-(1,4-diazepane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-(1,4-diazepane-1-carbonyl)benzyl]-2H-phthalazin-1-one Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H22N4O2/c26-20-18-8-2-1-7-17(18)19(23-24-20)14-15-5-3-6-16(13-15)21(27)25-11-4-9-22-10-12-25/h1-3,5-8,13,22H,4,9-12,14H2,(H,24,26)