2-[6-chloranyl-9-(5-methyl-5-oxidanyl-hexyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile

Systemtic Name: 2-[6-chloranyl-9-(5-methyl-5-oxidanyl-hexyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-chloro-9-(5-hydroxy-5-methyl-hexyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-chloro-9-(5-hydroxy-5-methylhexyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-chloro-9-(5-hydroxy-5-methylhexyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-chloro-9-(5-hydroxy-5-methyl-hexyl)-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C30H25ClN4O MolecularWeight: 492.9987

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCC1=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)(CCCCC1=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/C30H25ClN4O/c1-30(2,36)13-4-3-6-18-9-11-22-24(14-18)25-15-21(31)10-12-23(25)28-27(22)34-29(35-28)26-19(16-32)7-5-8-20(26)17-33/h5,7-12,14-15,36H,3-4,6,13H2,1-2H3,(H,34,35)