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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C#CCC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)Cl)N=C(N3)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(13-17)24-14-20(30)9-11-22(24)27-26(21)33-28(34-27)25-18(15-31)6-3-7-19(25)16-32/h3,6-11,13-14,35H,5H2,1-2H3,(H,33,34)