2-azanyl-4-(4-bromophenyl)-6-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]benzene-1,3-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-bromophenyl)-6-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-amino-4-(4-bromophenyl)-6-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]benzene-1,3-dicarbonitrile CAS Name: 2-amino-4-(4-bromophenyl)-6-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]benzene-1,3-dicarbonitrile IUPAC Name: 2-amino-4-(4-bromophenyl)-6-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-amino-4-(4-bromophenyl)-6-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]isophthalonitrile Formula: C30H20BrN5O MolecularWeight: 546.4167

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C3=C(C(=C(C(=C3)C4=CC=C(C=C4)Br)C#N)N)C#N)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C3=C(C(=C(C(=C3)C4=CC=C(C=C4)Br)C#N)N)C#N)C5=CC=CC=C5

InChI

InChI=1S/C30H20BrN5O/c1-37-23-13-9-20(10-14-23)30-28(18-36(35-30)22-5-3-2-4-6-22)25-15-24(19-7-11-21(31)12-8-19)26(16-32)29(34)27(25)17-33/h2-15,18H,34H2,1H3