4-[[4-(2-phenylethynyl)phenyl]methylamino]-2H-phthalazin-1-one

Systemtic Name: 4-[[4-(2-phenylethynyl)phenyl]methylamino]-2H-phthalazin-1-one Openeye Name: 4-[[4-(2-phenylethynyl)phenyl]methylamino]-2H-phthalazin-1-one CAS Name: 4-[[4-(2-phenylethynyl)phenyl]methylamino]-2H-phthalazin-1-one IUPAC Name: 4-[[4-(2-phenylethynyl)phenyl]methylamino]-2H-phthalazin-1-one Traditional Name: 4-[[4-(2-phenylethynyl)benzyl]amino]-2H-phthalazin-1-one Formula: C23H17N3O MolecularWeight: 351.40058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)CNC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)CNC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H17N3O/c27-23-21-9-5-4-8-20(21)22(25-26-23)24-16-19-14-12-18(13-15-19)11-10-17-6-2-1-3-7-17/h1-9,12-15H,16H2,(H,24,25)(H,26,27)