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

Systemtic Name: ethyl 2-azanyl-1-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate Openeye Name: ethyl 2-amino-1-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate CAS Name: 2-amino-1-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate Traditional Name: 2-amino-1-cyano-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-3-carboxylic acid ethyl ester Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1CCCCC2)C#N)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1CCCCC2)C#N)N

InChI

InChI=1S/C13H17N3O2/c1-2-18-13(17)12-11(15)9(8-14)10-6-4-3-5-7-16(10)12/h2-7,15H2,1H3