2-[6-bromanyl-9-(2,2-dimethylpropyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile

Systemtic Name: 2-[6-bromanyl-9-(2,2-dimethylpropyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-bromo-9-(2,2-dimethylpropyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-bromo-9-(2,2-dimethylpropyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-bromo-9-(2,2-dimethylpropyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-(6-bromo-9-neopentyl-1H-phenanthr[9,10-d]imidazol-2-yl)isophthalonitrile Formula: C28H21BrN4 MolecularWeight: 493.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)Br)N=C(N3)C5=C(C=CC=C5C#N)C#N

Isomeric SMILES

CC(C)(C)CC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)Br)N=C(N3)C5=C(C=CC=C5C#N)C#N

InChI

InChI=1S/C28H21BrN4/c1-28(2,3)13-16-7-9-20-22(11-16)23-12-19(29)8-10-21(23)26-25(20)32-27(33-26)24-17(14-30)5-4-6-18(24)15-31/h4-12H,13H2,1-3H3,(H,32,33)