4-[[[4-(4-chlorophenyl)phthalazin-1-yl]amino]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[[4-(4-chlorophenyl)phthalazin-1-yl]amino]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[[4-(4-chlorophenyl)phthalazin-1-yl]amino]methyl]-2H-phthalazin-1-one CAS Name: 4-[[[4-(4-chlorophenyl)-1-phthalazinyl]amino]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[[4-(4-chlorophenyl)phthalazin-1-yl]amino]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[[4-(4-chlorophenyl)phthalazin-1-yl]amino]methyl]-2H-phthalazin-1-one Formula: C23H16ClN5O MolecularWeight: 413.85904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CNC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CNC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H16ClN5O/c24-15-11-9-14(10-12-15)21-17-6-2-3-7-18(17)22(28-27-21)25-13-20-16-5-1-4-8-19(16)23(30)29-26-20/h1-12H,13H2,(H,25,28)(H,29,30)