2-azanyl-6-(3-bromanyl-4-fluoranyl-phenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(3-bromanyl-4-fluoranyl-phenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-6-(3-bromo-4-fluoro-phenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-6-(3-bromo-4-fluorophenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-6-(3-bromo-4-fluorophenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-6-(3-bromo-4-fluoro-phenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C21H24BrFN4O2 MolecularWeight: 463.343263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC(=C(C=C3)F)Br)C#N)OCCCC

Isomeric SMILES

CCCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC(=C(C=C3)F)Br)C#N)OCCCC

InChI

InChI=1S/C21H24BrFN4O2/c1-3-5-9-28-21(29-10-6-4-2)20(13-25)17(19(20,12-24)18(26)27-21)14-7-8-16(23)15(22)11-14/h7-8,11,17H,3-6,9-10H2,1-2H3,(H2,26,27)