dimethyl 2-[3-cyano-1-(phenylmethyl)-4,5-dihydroazepin-4-yl]propanedioate

Systemtic Name: dimethyl 2-[3-cyano-1-(phenylmethyl)-4,5-dihydroazepin-4-yl]propanedioate Openeye Name: dimethyl 2-(1-benzyl-3-cyano-4,5-dihydroazepin-4-yl)propanedioate CAS Name: 2-[3-cyano-1-(phenylmethyl)-4,5-dihydroazepin-4-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(1-benzyl-3-cyano-4,5-dihydroazepin-4-yl)propanedioate Traditional Name: 2-(1-benzyl-3-cyano-4,5-dihydroazepin-4-yl)malonic acid dimethyl ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CC=CN(C=C1C#N)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(C1CC=CN(C=C1C#N)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H20N2O4/c1-24-18(22)17(19(23)25-2)16-9-6-10-21(13-15(16)11-20)12-14-7-4-3-5-8-14/h3-8,10,13,16-17H,9,12H2,1-2H3