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

Systemtic Name: 2-[6-chloranyl-9-(4-methoxybutyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-chloro-9-(4-methoxybutyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-chloro-9-(4-methoxybutyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-chloro-9-(4-methoxybutyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-chloro-9-(4-methoxybutyl)-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C28H21ClN4O MolecularWeight: 464.94554

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)Cl)N=C(N3)C5=C(C=CC=C5C#N)C#N

Isomeric SMILES

COCCCCC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)Cl)N=C(N3)C5=C(C=CC=C5C#N)C#N

InChI

InChI=1S/C28H21ClN4O/c1-34-12-3-2-5-17-8-10-21-23(13-17)24-14-20(29)9-11-22(24)27-26(21)32-28(33-27)25-18(15-30)6-4-7-19(25)16-31/h4,6-11,13-14H,2-3,5,12H2,1H3,(H,32,33)