2-azanyl-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]buta-1,3-diene-1,1,3-tricarbonitrile

Systemtic Name: 2-azanyl-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]buta-1,3-diene-1,1,3-tricarbonitrile Openeye Name: 2-amino-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]buta-1,3-diene-1,1,3-tricarbonitrile CAS Name: 2-amino-4-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]buta-1,3-diene-1,1,3-tricarbonitrile IUPAC Name: 2-amino-4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]buta-1,3-diene-1,1,3-tricarbonitrile Traditional Name: 2-amino-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]buta-1,3-diene-1,1,3-tricarbonitrile Formula: C22H13ClN6 MolecularWeight: 396.83182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C=C(C#N)C(=C(C#N)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C=C(C#N)C(=C(C#N)C#N)N

InChI

InChI=1S/C22H13ClN6/c23-19-8-6-15(7-9-19)22-17(10-16(11-24)21(27)18(12-25)13-26)14-29(28-22)20-4-2-1-3-5-20/h1-10,14H,27H2