4-[3-[4-chloranyl-2-(3-methoxyphenyl)phenyl]-1-(3-methylimidazol-4-yl)-1-oxidanyl-prop-2-ynyl]benzenecarbonitrile

Systemtic Name: 4-[3-[4-chloranyl-2-(3-methoxyphenyl)phenyl]-1-(3-methylimidazol-4-yl)-1-oxidanyl-prop-2-ynyl]benzenecarbonitrile Openeye Name: 4-[3-[4-chloro-2-(3-methoxyphenyl)phenyl]-1-hydroxy-1-(3-methylimidazol-4-yl)prop-2-ynyl]benzonitrile CAS Name: 4-[3-[4-chloro-2-(3-methoxyphenyl)phenyl]-1-hydroxy-1-(3-methyl-4-imidazolyl)prop-2-ynyl]benzonitrile IUPAC Name: 4-[3-[4-chloro-2-(3-methoxyphenyl)phenyl]-1-hydroxy-1-(3-methylimidazol-4-yl)prop-2-ynyl]benzonitrile Traditional Name: 4-[3-[4-chloro-2-(3-methoxyphenyl)phenyl]-1-hydroxy-1-(3-methylimidazol-4-yl)prop-2-ynyl]benzonitrile Formula: C27H20ClN3O2 MolecularWeight: 453.9196

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C#CC2=C(C=C(C=C2)Cl)C3=CC(=CC=C3)OC)(C4=CC=C(C=C4)C#N)O

Isomeric SMILES

CN1C=NC=C1C(C#CC2=C(C=C(C=C2)Cl)C3=CC(=CC=C3)OC)(C4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C27H20ClN3O2/c1-31-18-30-17-26(31)27(32,22-9-6-19(16-29)7-10-22)13-12-20-8-11-23(28)15-25(20)21-4-3-5-24(14-21)33-2/h3-11,14-15,17-18,32H,1-2H3