ethyl 2-benzamido-1-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate

Systemtic Name: ethyl 2-benzamido-1-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate Openeye Name: ethyl 2-benzamido-1-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate CAS Name: 2-benzamido-1-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzamido-1-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate Traditional Name: 2-benzamido-1-cyano-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-3-carboxylic acid ethyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1CCCCC2)C#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1CCCCC2)C#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3/c1-2-26-20(25)18-17(22-19(24)14-9-5-3-6-10-14)15(13-21)16-11-7-4-8-12-23(16)18/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,22,24)