2-[6-chloranyl-5-ethyl-9-(4-methyl-4-oxidanyl-pent-2-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile

Systemtic Name: 2-[6-chloranyl-5-ethyl-9-(4-methyl-4-oxidanyl-pent-2-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-chloro-5-ethyl-9-(4-hydroxy-4-methyl-pent-2-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-chloro-5-ethyl-9-(4-hydroxy-4-methylpent-2-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-chloro-5-ethyl-9-(4-hydroxy-4-methylpent-2-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-chloro-5-ethyl-9-(4-hydroxy-4-methyl-pent-2-ynyl)-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C31H23ClN4O MolecularWeight: 502.99352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C3=C(C4=C2C=C(C=C4)CC#CC(C)(C)O)NC(=N3)C5=C(C=CC=C5C#N)C#N)Cl

Isomeric SMILES

CCC1=C(C=C2C(=C1)C3=C(C4=C2C=C(C=C4)CC#CC(C)(C)O)NC(=N3)C5=C(C=CC=C5C#N)C#N)Cl

InChI

InChI=1S/C31H23ClN4O/c1-4-19-14-25-24(15-26(19)32)23-13-18(7-6-12-31(2,3)37)10-11-22(23)28-29(25)36-30(35-28)27-20(16-33)8-5-9-21(27)17-34/h5,8-11,13-15,37H,4,7H2,1-3H3,(H,35,36)