4-(azocan-1-ylcarbonyl)-2H-phthalazin-1-one

Systemtic Name: 4-(azocan-1-ylcarbonyl)-2H-phthalazin-1-one Openeye Name: 4-(azocane-1-carbonyl)-2H-phthalazin-1-one CAS Name: 4-[1-azocanyl(oxo)methyl]-2H-phthalazin-1-one IUPAC Name: 4-(azocane-1-carbonyl)-2H-phthalazin-1-one Traditional Name: 4-(azocane-1-carbonyl)-2H-phthalazin-1-one Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1CCCN(CCC1)C(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H19N3O2/c20-15-13-9-5-4-8-12(13)14(17-18-15)16(21)19-10-6-2-1-3-7-11-19/h4-5,8-9H,1-3,6-7,10-11H2,(H,18,20)