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

Systemtic Name: 2-[6-chloranyl-9-(2-methyl-2-oxidanyl-propyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-chloro-9-(2-hydroxy-2-methyl-propyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-chloro-9-(2-hydroxy-2-methylpropyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-chloro-9-(2-hydroxy-2-methylpropyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-chloro-9-(2-hydroxy-2-methyl-propyl)-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C27H19ClN4O MolecularWeight: 450.91896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=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)(CC1=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/C27H19ClN4O/c1-27(2,33)12-15-6-8-19-21(10-15)22-11-18(28)7-9-20(22)25-24(19)31-26(32-25)23-16(13-29)4-3-5-17(23)14-30/h3-11,33H,12H2,1-2H3,(H,31,32)