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

Systemtic Name: 2-[6-chloranyl-10-(4-methyl-4-oxidanyl-pent-2-ynyl)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-chloro-10-(4-hydroxy-4-methyl-pent-2-ynyl)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-chloro-10-(4-hydroxy-4-methylpent-2-ynyl)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-chloro-10-(4-hydroxy-4-methylpent-2-ynyl)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-chloro-10-(4-hydroxy-4-methyl-pent-2-ynyl)-3H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C29H19ClN4O MolecularWeight: 474.94036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CCC1=CC2=C(C=C1)C3=C(C=CC(=C3)Cl)C4=C2N=C(N4)C5=C(C=CC=C5C#N)C#N)O

Isomeric SMILES

CC(C)(C#CCC1=CC2=C(C=C1)C3=C(C=CC(=C3)Cl)C4=C2N=C(N4)C5=C(C=CC=C5C#N)C#N)O

InChI

InChI=1S/C29H19ClN4O/c1-29(2,35)12-4-5-17-8-10-21-23-14-20(30)9-11-22(23)26-27(24(21)13-17)34-28(33-26)25-18(15-31)6-3-7-19(25)16-32/h3,6-11,13-14,35H,5H2,1-2H3,(H,33,34)