4-[(4-chlorophenyl)amino]-2-(phenylcarbonyl)-1H-phthalazine-1-carbonitrile

Systemtic Name: 4-[(4-chlorophenyl)amino]-2-(phenylcarbonyl)-1H-phthalazine-1-carbonitrile Openeye Name: 2-benzoyl-4-(4-chloroanilino)-1H-phthalazine-1-carbonitrile CAS Name: 2-benzoyl-4-(4-chloroanilino)-1H-phthalazine-1-carbonitrile IUPAC Name: 2-benzoyl-4-(4-chloroanilino)-1H-phthalazine-1-carbonitrile Traditional Name: 2-benzoyl-4-(4-chloroanilino)-1H-phthalazine-1-carbonitrile Formula: C22H15ClN4O MolecularWeight: 386.8337

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C(C3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C(C3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C22H15ClN4O/c23-16-10-12-17(13-11-16)25-21-19-9-5-4-8-18(19)20(14-24)27(26-21)22(28)15-6-2-1-3-7-15/h1-13,20H,(H,25,26)