4-[[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[[5-(1-naphthyl)-1,2,4-triazin-3-yl]amino]methyl]-2H-phthalazin-1-one CAS Name: 4-[[[5-(1-naphthalenyl)-1,2,4-triazin-3-yl]amino]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[(5-naphthalen-1-yl-1,2,4-triazin-3-yl)amino]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[[5-(1-naphthyl)-1,2,4-triazin-3-yl]amino]methyl]-2H-phthalazin-1-one Formula: C22H16N6O MolecularWeight: 380.40204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=CN=NC(=N3)NCC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=CN=NC(=N3)NCC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C22H16N6O/c29-21-18-10-4-3-9-17(18)20(26-27-21)12-23-22-25-19(13-24-28-22)16-11-5-7-14-6-1-2-8-15(14)16/h1-11,13H,12H2,(H,27,29)(H,23,25,28)