ethyl (5Z,7E)-4-azido-5-ethyl-1-(phenylmethyl)-3,4-dihydro-2H-azocine-7-carboxylate

Systemtic Name: ethyl (5Z,7E)-4-azido-5-ethyl-1-(phenylmethyl)-3,4-dihydro-2H-azocine-7-carboxylate Openeye Name: ethyl (5Z,7E)-4-azido-1-benzyl-5-ethyl-3,4-dihydro-2H-azocine-7-carboxylate CAS Name: (5Z,7E)-4-azido-5-ethyl-1-(phenylmethyl)-3,4-dihydro-2H-azocine-7-carboxylic acid ethyl ester IUPAC Name: ethyl (5Z,7E)-4-azido-1-benzyl-5-ethyl-3,4-dihydro-2H-azocine-7-carboxylate Traditional Name: (5Z,7E)-4-azido-1-benzyl-5-ethyl-3,4-dihydro-2H-azocine-7-carboxylic acid ethyl ester Formula: C19H24N4O2 MolecularWeight: 340.41946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CN(CCC1N=[N+]=[N-])CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CC/C/1=C/C(=C\N(CCC1N=[N+]=[N-])CC2=CC=CC=C2)/C(=O)OCC

InChI

InChI=1S/C19H24N4O2/c1-3-16-12-17(19(24)25-4-2)14-23(11-10-18(16)21-22-20)13-15-8-6-5-7-9-15/h5-9,12,14,18H,3-4,10-11,13H2,1-2H3/b16-12-,17-14+