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

Systemtic Name: 2-[9-methyl-6-(3-methyl-3-oxidanyl-but-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-(3-hydroxy-3-methyl-but-1-ynyl)-9-methyl-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-(3-hydroxy-3-methylbut-1-ynyl)-9-methyl-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-(3-hydroxy-3-methylbut-1-ynyl)-9-methyl-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-(3-hydroxy-3-methyl-but-1-ynyl)-9-methyl-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C29H20N4O MolecularWeight: 440.4953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H20N4O/c1-17-7-9-21-23(13-17)24-14-18(11-12-29(2,3)34)8-10-22(24)27-26(21)32-28(33-27)25-19(15-30)5-4-6-20(25)16-31/h4-10,13-14,34H,1-3H3,(H,32,33)