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

Systemtic Name: 2-[6-bromanyl-9-(2-ethyl-2-oxidanyl-butyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-bromo-9-(2-ethyl-2-hydroxy-butyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-bromo-9-(2-ethyl-2-hydroxybutyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-bromo-9-(2-ethyl-2-hydroxybutyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-bromo-9-(2-ethyl-2-hydroxy-butyl)-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C29H23BrN4O MolecularWeight: 523.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=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

CCC(CC)(CC1=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/C29H23BrN4O/c1-3-29(35,4-2)14-17-8-10-21-23(12-17)24-13-20(30)9-11-22(24)27-26(21)33-28(34-27)25-18(15-31)6-5-7-19(25)16-32/h5-13,35H,3-4,14H2,1-2H3,(H,33,34)