azane; cyclopentanone; 4-[3-(methylamino)phenyl]-2H-phthalazin-1-one

Systemtic Name: azane; cyclopentanone; 4-[3-(methylamino)phenyl]-2H-phthalazin-1-one Openeye Name: ammonia; cyclopentanone; 4-[3-(methylamino)phenyl]-2H-phthalazin-1-one CAS Name: ammonia; cyclopentanone; 4-[3-(methylamino)phenyl]-2H-phthalazin-1-one IUPAC Name: azane; cyclopentanone; 4-[3-(methylamino)phenyl]-2H-phthalazin-1-one Traditional Name: ammonia; cyclopentanone; 4-[3-(methylamino)phenyl]-2H-phthalazin-1-one Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32.C1CCC(=O)C1.N

Isomeric SMILES

CNC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32.C1CCC(=O)C1.N

InChI

InChI=1S/C15H13N3O.C5H8O.H3N/c1-16-11-6-4-5-10(9-11)14-12-7-2-3-8-13(12)15(19)18-17-14;6-5-3-1-2-4-5;/h2-9,16H,1H3,(H,18,19);1-4H2;1H3