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

Systemtic Name: 2-azanyl-4,4-dibutoxy-6-(2-ethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-4,4-dibutoxy-6-(2-ethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-4,4-dibutoxy-6-(2-ethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-4,4-dibutoxy-6-(2-ethoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-4,4-dibutoxy-6-o-phenetyl-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC=CC=C3OCC)C#N)OCCCC

Isomeric SMILES

CCCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC=CC=C3OCC)C#N)OCCCC

InChI

InChI=1S/C23H30N4O3/c1-4-7-13-29-23(30-14-8-5-2)22(16-25)19(21(22,15-24)20(26)27-23)17-11-9-10-12-18(17)28-6-3/h9-12,19H,4-8,13-14H2,1-3H3,(H2,26,27)