ethyl 2-[(3-cyano-1,2,4-triazol-1-yl)methyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[(3-cyano-1,2,4-triazol-1-yl)methyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(3-cyano-1,2,4-triazol-1-yl)methyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[(3-cyano-1,2,4-triazol-1-yl)methyl]-4-phenyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyano-1,2,4-triazol-1-yl)methyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[(3-cyano-1,2,4-triazol-1-yl)methyl]-4-phenyl-quinoline-3-carboxylic acid ethyl ester Formula: C22H17N5O2 MolecularWeight: 383.40268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3C=NC(=N3)C#N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3C=NC(=N3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H17N5O2/c1-2-29-22(28)21-18(13-27-14-24-19(12-23)26-27)25-17-11-7-6-10-16(17)20(21)15-8-4-3-5-9-15/h3-11,14H,2,13H2,1H3