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

Systemtic Name: 2-azanyl-6-(5-bromanyl-2-ethoxy-phenyl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-6-(5-bromo-2-ethoxy-phenyl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-6-(5-bromo-2-ethoxyphenyl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-6-(5-bromo-2-ethoxyphenyl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-6-(5-bromo-2-ethoxy-phenyl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C21H25BrN4O3 MolecularWeight: 461.3522

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(C2(C(C2(C(=N1)N)C#N)C3=C(C=CC(=C3)Br)OCC)C#N)OCCC

Isomeric SMILES

CCCOC1(C2(C(C2(C(=N1)N)C#N)C3=C(C=CC(=C3)Br)OCC)C#N)OCCC

InChI

InChI=1S/C21H25BrN4O3/c1-4-9-28-21(29-10-5-2)20(13-24)17(19(20,12-23)18(25)26-21)15-11-14(22)7-8-16(15)27-6-3/h7-8,11,17H,4-6,9-10H2,1-3H3,(H2,25,26)