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

Systemtic Name: 2-[6-chloranyl-9-(3-ethyl-3-oxidanyl-pent-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-chloro-9-(3-ethyl-3-hydroxy-pent-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-chloro-9-(3-ethyl-3-hydroxypent-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-chloro-9-(3-ethyl-3-hydroxypent-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-chloro-9-(3-ethyl-3-hydroxy-pent-1-ynyl)-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C30H21ClN4O MolecularWeight: 488.96694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(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)O

Isomeric SMILES

CCC(CC)(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)O

InChI

InChI=1S/C30H21ClN4O/c1-3-30(36,4-2)13-12-18-8-10-22-24(14-18)25-15-21(31)9-11-23(25)28-27(22)34-29(35-28)26-19(16-32)6-5-7-20(26)17-33/h5-11,14-15,36H,3-4H2,1-2H3,(H,34,35)