2-[9-ethyl-6-(4-methyl-4-oxidanyl-pent-2-ynyl)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile

Systemtic Name: 2-[9-ethyl-6-(4-methyl-4-oxidanyl-pent-2-ynyl)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[9-ethyl-6-(4-hydroxy-4-methyl-pent-2-ynyl)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[9-ethyl-6-(4-hydroxy-4-methylpent-2-ynyl)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[9-ethyl-6-(4-hydroxy-4-methylpent-2-ynyl)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[9-ethyl-6-(4-hydroxy-4-methyl-pent-2-ynyl)-3H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C31H24N4O MolecularWeight: 468.54846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)CC#CC(C)(C)O)NC(=N3)C5=C(C=CC=C5C#N)C#N

Isomeric SMILES

CCC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)CC#CC(C)(C)O)NC(=N3)C5=C(C=CC=C5C#N)C#N

InChI

InChI=1S/C31H24N4O/c1-4-19-10-12-23-25(15-19)26-16-20(7-6-14-31(2,3)36)11-13-24(26)29-28(23)34-30(35-29)27-21(17-32)8-5-9-22(27)18-33/h5,8-13,15-16,36H,4,7H2,1-3H3,(H,34,35)