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

Systemtic Name: 2-[9-ethyl-6-(3-methyl-3-oxidanyl-but-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[9-ethyl-6-(3-hydroxy-3-methyl-but-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[9-ethyl-6-(3-hydroxy-3-methylbut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[9-ethyl-6-(3-hydroxy-3-methylbut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[9-ethyl-6-(3-hydroxy-3-methyl-but-1-ynyl)-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C30H22N4O MolecularWeight: 454.52188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C30H22N4O/c1-4-18-8-10-22-24(14-18)25-15-19(12-13-30(2,3)35)9-11-23(25)28-27(22)33-29(34-28)26-20(16-31)6-5-7-21(26)17-32/h5-11,14-15,35H,4H2,1-3H3,(H,33,34)