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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=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)(C1=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/c1-3-28(34,4-2)18-8-10-20-22(12-18)23-13-19(29)9-11-21(23)26-25(20)32-27(33-26)24-16(14-30)6-5-7-17(24)15-31/h5-13,34H,3-4H2,1-2H3,(H,32,33)