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

Systemtic Name: 2-[6-bromanyl-9-(1-oxidanyl-1-pyridin-2-yl-ethyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-bromo-9-[1-hydroxy-1-(2-pyridyl)ethyl]-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-bromo-9-[1-hydroxy-1-(2-pyridinyl)ethyl]-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-bromo-9-(1-hydroxy-1-pyridin-2-ylethyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-bromo-9-[1-hydroxy-1-(2-pyridyl)ethyl]-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C30H18BrN5O MolecularWeight: 544.40082

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Descriptors Computed from Structure

Canonical SMILES:

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)(C6=CC=CC=N6)O

Isomeric SMILES

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)(C6=CC=CC=N6)O

InChI

InChI=1S/C30H18BrN5O/c1-30(37,25-7-2-3-12-34-25)19-8-10-21-23(13-19)24-14-20(31)9-11-22(24)28-27(21)35-29(36-28)26-17(15-32)5-4-6-18(26)16-33/h2-14,37H,1H3,(H,35,36)