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

Systemtic Name: 2-[6-chloranyl-9-(3-methyl-3-oxidanyl-2-oxidanylidene-butyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Openeye Name: 2-[6-chloro-9-(3-hydroxy-3-methyl-2-oxo-butyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile CAS Name: 2-[6-chloro-9-(3-hydroxy-3-methyl-2-oxobutyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[6-chloro-9-(3-hydroxy-3-methyl-2-oxobutyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile Traditional Name: 2-[6-chloro-9-(3-hydroxy-2-keto-3-methyl-butyl)-1H-phenanthr[9,10-d]imidazol-2-yl]isophthalonitrile Formula: C28H19ClN4O2 MolecularWeight: 478.92906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)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

CC(C)(C(=O)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/C28H19ClN4O2/c1-28(2,35)23(34)11-15-6-8-19-21(10-15)22-12-18(29)7-9-20(22)26-25(19)32-27(33-26)24-16(13-30)4-3-5-17(24)14-31/h3-10,12,35H,11H2,1-2H3,(H,32,33)