ethyl 2-[3-cyano-1-(phenylmethyl)-4,5-dihydroazepin-4-yl]ethanoate

Systemtic Name: ethyl 2-[3-cyano-1-(phenylmethyl)-4,5-dihydroazepin-4-yl]ethanoate Openeye Name: ethyl 2-(1-benzyl-3-cyano-4,5-dihydroazepin-4-yl)acetate CAS Name: 2-[3-cyano-1-(phenylmethyl)-4,5-dihydroazepin-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(1-benzyl-3-cyano-4,5-dihydroazepin-4-yl)acetate Traditional Name: 2-(1-benzyl-3-cyano-4,5-dihydroazepin-4-yl)acetic acid ethyl ester Formula: C18H20N2O2 MolecularWeight: 296.3636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CC=CN(C=C1C#N)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC1CC=CN(C=C1C#N)CC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O2/c1-2-22-18(21)11-16-9-6-10-20(14-17(16)12-19)13-15-7-4-3-5-8-15/h3-8,10,14,16H,2,9,11,13H2,1H3