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

Systemtic Name: 2-[9-methyl-6-(4-methyl-4-oxidanyl-pent-2-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-(4-hydroxy-4-methyl-pent-2-ynyl)-9-methyl-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-(4-hydroxy-4-methylpent-2-ynyl)-9-methyl-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-(4-hydroxy-4-methylpent-2-ynyl)-9-methyl-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-(4-hydroxy-4-methyl-pent-2-ynyl)-9-methyl-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C30H22N4O MolecularWeight: 454.52188

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H22N4O/c1-18-9-11-22-24(14-18)25-15-19(6-5-13-30(2,3)35)10-12-23(25)28-27(22)33-29(34-28)26-20(16-31)7-4-8-21(26)17-32/h4,7-12,14-15,35H,6H2,1-3H3,(H,33,34)