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

Systemtic Name: 2-[6-chloranyl-9-(3-cyanopropoxy)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-chloro-9-(3-cyanopropoxy)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-chloro-9-(3-cyanopropoxy)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-chloro-9-(3-cyanopropoxy)-3H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-chloro-9-(3-cyanopropoxy)-3H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C27H16ClN5O MolecularWeight: 461.90184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C#N)C2=NC3=C(N2)C4=C(C=C(C=C4)Cl)C5=C3C=CC(=C5)OCCCC#N)C#N

Isomeric SMILES

C1=CC(=C(C(=C1)C#N)C2=NC3=C(N2)C4=C(C=C(C=C4)Cl)C5=C3C=CC(=C5)OCCCC#N)C#N

InChI

InChI=1S/C27H16ClN5O/c28-18-6-8-20-22(12-18)23-13-19(34-11-2-1-10-29)7-9-21(23)26-25(20)32-27(33-26)24-16(14-30)4-3-5-17(24)15-31/h3-9,12-13H,1-2,11H2,(H,32,33)