(1S,5R,6R)-2-azanyl-4,4-dimethoxy-6-(3-phenoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Systemtic Name: (1S,5R,6R)-2-azanyl-4,4-dimethoxy-6-(3-phenoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: (1S,5R,6R)-2-amino-4,4-dimethoxy-6-(3-phenoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: (1S,5R,6R)-2-amino-4,4-dimethoxy-6-(3-phenoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: (1S,5R,6R)-2-amino-4,4-dimethoxy-6-(3-phenoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: (1S,5R,6R)-2-amino-4,4-dimethoxy-6-(3-phenoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2(C(C2(C(=N1)N)C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C#N)OC

Isomeric SMILES

COC1([C@@]2([C@@H]([C@@]2(C(=N1)N)C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C#N)OC

InChI

InChI=1S/C21H18N4O3/c1-26-21(27-2)20(13-23)17(19(20,12-22)18(24)25-21)14-7-6-10-16(11-14)28-15-8-4-3-5-9-15/h3-11,17H,1-2H3,(H2,24,25)/t17-,19-,20-/m1/s1