methyl 1-cyano-1-(phenylmethyl)isoquinoline-2-carboxylate

Systemtic Name: methyl 1-cyano-1-(phenylmethyl)isoquinoline-2-carboxylate Openeye Name: methyl 1-benzyl-1-cyano-isoquinoline-2-carboxylate CAS Name: 1-cyano-1-(phenylmethyl)-2-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-1-cyanoisoquinoline-2-carboxylate Traditional Name: 1-benzyl-1-cyano-isoquinoline-2-carboxylic acid methyl ester Formula: C19H16N2O2 MolecularWeight: 304.34254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=CC2=CC=CC=C2C1(CC3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)N1C=CC2=CC=CC=C2C1(CC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H16N2O2/c1-23-18(22)21-12-11-16-9-5-6-10-17(16)19(21,14-20)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3