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

Systemtic Name: 2-[6-chloranyl-9-(2-cyclopropylethynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-chloro-9-(2-cyclopropylethynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-chloro-9-(2-cyclopropylethynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-chloro-9-(2-cyclopropylethynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-chloro-9-(2-cyclopropylethynyl)-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C28H15ClN4 MolecularWeight: 442.8985

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C#CC2=CC3=C(C=C2)C4=C(C5=C3C=C(C=C5)Cl)N=C(N4)C6=C(C=CC=C6C#N)C#N

Isomeric SMILES

C1CC1C#CC2=CC3=C(C=C2)C4=C(C5=C3C=C(C=C5)Cl)N=C(N4)C6=C(C=CC=C6C#N)C#N

InChI

InChI=1S/C28H15ClN4/c29-20-9-11-22-24(13-20)23-12-17(7-6-16-4-5-16)8-10-21(23)26-27(22)33-28(32-26)25-18(14-30)2-1-3-19(25)15-31/h1-3,8-13,16H,4-5H2,(H,32,33)