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

Systemtic Name: 4-[6-chloranyl-9-(3-methyl-3-oxidanyl-but-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]pyridine-3,5-dicarbonitrile Openeye Name: 4-[6-chloro-9-(3-hydroxy-3-methyl-but-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]pyridine-3,5-dicarbonitrile CAS Name: 4-[6-chloro-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]pyridine-3,5-dicarbonitrile IUPAC Name: 4-[6-chloro-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]pyridine-3,5-dicarbonitrile Traditional Name: 4-[6-chloro-9-(3-hydroxy-3-methyl-but-1-ynyl)-1H-phenanthr[9,10-d]imidazol-2-yl]dinicotinonitrile Formula: C27H16ClN5O MolecularWeight: 461.90184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)Cl)N=C(N3)C5=C(C=NC=C5C#N)C#N)O

Isomeric SMILES

CC(C)(C#CC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)Cl)N=C(N3)C5=C(C=NC=C5C#N)C#N)O

InChI

InChI=1S/C27H16ClN5O/c1-27(2,34)8-7-15-3-5-19-21(9-15)22-10-18(28)4-6-20(22)25-24(19)32-26(33-25)23-16(11-29)13-31-14-17(23)12-30/h3-6,9-10,13-14,34H,1-2H3,(H,32,33)