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

Systemtic Name: methyl 2-azanyl-1-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C12H15N3O2 MolecularWeight: 233.2664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2/c1-17-12(16)11-10(14)8(7-13)9-5-3-2-4-6-15(9)11/h2-6,14H2,1H3