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

Systemtic Name: 2-azanyl-6-(5-bromanyl-2-ethoxy-phenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-6-(5-bromo-2-ethoxy-phenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-6-(5-bromo-2-ethoxyphenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-6-(5-bromo-2-ethoxyphenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-6-(5-bromo-2-ethoxy-phenyl)-4,4-dibutoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C23H29BrN4O3 MolecularWeight: 489.40536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN4O3/c1-4-7-11-30-23(31-12-8-5-2)22(15-26)19(21(22,14-25)20(27)28-23)17-13-16(24)9-10-18(17)29-6-3/h9-10,13,19H,4-8,11-12H2,1-3H3,(H2,27,28)