(1S,5R,6S)-2-azanyl-6-(2-chloranyl-6-fluoranyl-phenyl)-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Systemtic Name: (1S,5R,6S)-2-azanyl-6-(2-chloranyl-6-fluoranyl-phenyl)-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: (1S,5R,6S)-2-amino-6-(2-chloro-6-fluoro-phenyl)-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: (1S,5R,6S)-2-amino-6-(2-chloro-6-fluorophenyl)-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: (1S,5R,6S)-2-amino-6-(2-chloro-6-fluorophenyl)-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: (1S,5R,6S)-2-amino-6-(2-chloro-6-fluoro-phenyl)-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C17H16ClFN4O2 MolecularWeight: 362.785943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2(C(C2(C(=N1)N)C#N)C3=C(C=CC=C3Cl)F)C#N)OCC

Isomeric SMILES

CCOC1([C@@]2([C@H]([C@@]2(C(=N1)N)C#N)C3=C(C=CC=C3Cl)F)C#N)OCC

InChI

InChI=1S/C17H16ClFN4O2/c1-3-24-17(25-4-2)16(9-21)13(15(16,8-20)14(22)23-17)12-10(18)6-5-7-11(12)19/h5-7,13H,3-4H2,1-2H3,(H2,22,23)/t13-,15+,16+/m0/s1