phenyl 3-cyano-2-(2-phenylethynyl)-2H-quinoline-1-carboxylate

Systemtic Name: phenyl 3-cyano-2-(2-phenylethynyl)-2H-quinoline-1-carboxylate Openeye Name: phenyl 3-cyano-2-(2-phenylethynyl)-2H-quinoline-1-carboxylate CAS Name: 3-cyano-2-(2-phenylethynyl)-2H-quinoline-1-carboxylic acid phenyl ester IUPAC Name: phenyl 3-cyano-2-(2-phenylethynyl)-2H-quinoline-1-carboxylate Traditional Name: 3-cyano-2-(2-phenylethynyl)-2H-quinoline-1-carboxylic acid phenyl ester Formula: C25H16N2O2 MolecularWeight: 376.40674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2C(=CC3=CC=CC=C3N2C(=O)OC4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C#CC2C(=CC3=CC=CC=C3N2C(=O)OC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H16N2O2/c26-18-21-17-20-11-7-8-14-23(20)27(25(28)29-22-12-5-2-6-13-22)24(21)16-15-19-9-3-1-4-10-19/h1-14,17,24H