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

Systemtic Name: 2-[6-bromanyl-9-(3-methyl-3-oxidanyl-butyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-bromo-9-(3-hydroxy-3-methyl-butyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-bromo-9-(3-hydroxy-3-methylbutyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-bromo-9-(3-hydroxy-3-methylbutyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-bromo-9-(3-hydroxy-3-methyl-butyl)-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C28H21BrN4O MolecularWeight: 509.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)Br)N=C(N3)C5=C(C=CC=C5C#N)C#N)O

Isomeric SMILES

CC(C)(CCC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)Br)N=C(N3)C5=C(C=CC=C5C#N)C#N)O

InChI

InChI=1S/C28H21BrN4O/c1-28(2,34)11-10-16-6-8-20-22(12-16)23-13-19(29)7-9-21(23)26-25(20)32-27(33-26)24-17(14-30)4-3-5-18(24)15-31/h3-9,12-13,34H,10-11H2,1-2H3,(H,32,33)