4-[3-oxidanyl-3-phenyl-3-(2-phenylcyclopropyl)prop-1-ynyl]benzenecarbonitrile

Systemtic Name: 4-[3-oxidanyl-3-phenyl-3-(2-phenylcyclopropyl)prop-1-ynyl]benzenecarbonitrile Openeye Name: 4-[3-hydroxy-3-phenyl-3-(2-phenylcyclopropyl)prop-1-ynyl]benzonitrile CAS Name: 4-[3-hydroxy-3-phenyl-3-(2-phenylcyclopropyl)prop-1-ynyl]benzonitrile IUPAC Name: 4-[3-hydroxy-3-phenyl-3-(2-phenylcyclopropyl)prop-1-ynyl]benzonitrile Traditional Name: 4-[3-hydroxy-3-phenyl-3-(2-phenylcyclopropyl)prop-1-ynyl]benzonitrile Formula: C25H19NO MolecularWeight: 349.42446

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(C#CC2=CC=C(C=C2)C#N)(C3=CC=CC=C3)O)C4=CC=CC=C4

Isomeric SMILES

C1C(C1C(C#CC2=CC=C(C=C2)C#N)(C3=CC=CC=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C25H19NO/c26-18-20-13-11-19(12-14-20)15-16-25(27,22-9-5-2-6-10-22)24-17-23(24)21-7-3-1-4-8-21/h1-14,23-24,27H,17H2