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

Systemtic Name: 2-azanyl-6-(5-bromanyl-2-methoxy-phenyl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-6-(5-bromo-2-methoxy-phenyl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-6-(5-bromo-2-methoxyphenyl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-6-(5-bromo-2-methoxyphenyl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-6-(5-bromo-2-methoxy-phenyl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C20H23BrN4O3 MolecularWeight: 447.32562

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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)OC)C#N)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN4O3/c1-4-8-27-20(28-9-5-2)19(12-23)16(18(19,11-22)17(24)25-20)14-10-13(21)6-7-15(14)26-3/h6-7,10,16H,4-5,8-9H2,1-3H3,(H2,24,25)