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

Systemtic Name: 2-azanyl-6-(3-bromanyl-4-methoxy-phenyl)-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-6-(3-bromo-4-methoxy-phenyl)-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-6-(3-bromo-4-methoxyphenyl)-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-6-(3-bromo-4-methoxyphenyl)-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-6-(3-bromo-4-methoxy-phenyl)-4,4-diethoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C18H19BrN4O3 MolecularWeight: 419.27246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC(=C(C=C3)OC)Br)C#N)OCC

Isomeric SMILES

CCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC(=C(C=C3)OC)Br)C#N)OCC

InChI

InChI=1S/C18H19BrN4O3/c1-4-25-18(26-5-2)17(10-21)14(16(17,9-20)15(22)23-18)11-6-7-13(24-3)12(19)8-11/h6-8,14H,4-5H2,1-3H3,(H2,22,23)