4-[3-(4-cyanophenyl)-1-(3-methylimidazol-4-yl)-1-oxidanyl-prop-2-ynyl]-2-naphthalen-1-yl-benzenecarbonitrile

Systemtic Name: 4-[3-(4-cyanophenyl)-1-(3-methylimidazol-4-yl)-1-oxidanyl-prop-2-ynyl]-2-naphthalen-1-yl-benzenecarbonitrile Openeye Name: 4-[3-(4-cyanophenyl)-1-hydroxy-1-(3-methylimidazol-4-yl)prop-2-ynyl]-2-(1-naphthyl)benzonitrile CAS Name: 4-[3-(4-cyanophenyl)-1-hydroxy-1-(3-methyl-4-imidazolyl)prop-2-ynyl]-2-(1-naphthalenyl)benzonitrile IUPAC Name: 4-[3-(4-cyanophenyl)-1-hydroxy-1-(3-methylimidazol-4-yl)prop-2-ynyl]-2-naphthalen-1-ylbenzonitrile Traditional Name: 4-[3-(4-cyanophenyl)-1-hydroxy-1-(3-methylimidazol-4-yl)prop-2-ynyl]-2-(1-naphthyl)benzonitrile Formula: C31H20N4O MolecularWeight: 464.5167

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C#CC2=CC=C(C=C2)C#N)(C3=CC(=C(C=C3)C#N)C4=CC=CC5=CC=CC=C54)O

Isomeric SMILES

CN1C=NC=C1C(C#CC2=CC=C(C=C2)C#N)(C3=CC(=C(C=C3)C#N)C4=CC=CC5=CC=CC=C54)O

InChI

InChI=1S/C31H20N4O/c1-35-21-34-20-30(35)31(36,16-15-22-9-11-23(18-32)12-10-22)26-14-13-25(19-33)29(17-26)28-8-4-6-24-5-2-3-7-27(24)28/h2-14,17,20-21,36H,1H3