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

Systemtic Name: 2-[6-chloranyl-9-(3-oxidanylidenebut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-chloro-9-(3-oxobut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-chloro-9-(3-oxobut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-chloro-9-(3-oxobut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-chloro-9-(3-ketobut-1-ynyl)-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C27H13ClN4O MolecularWeight: 444.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)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

Isomeric SMILES

CC(=O)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

InChI

InChI=1S/C27H13ClN4O/c1-15(33)5-6-16-7-9-20-22(11-16)23-12-19(28)8-10-21(23)26-25(20)31-27(32-26)24-17(13-29)3-2-4-18(24)14-30/h2-4,7-12H,1H3,(H,31,32)