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

Systemtic Name: 2-azanyl-4,4-diethoxy-6-(4-octoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-4,4-diethoxy-6-(4-octoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-4,4-diethoxy-6-(4-octoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-4,4-diethoxy-6-(4-octoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-4,4-diethoxy-6-(4-octoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2C3(C2(C(N=C3N)(OCC)OCC)C#N)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2C3(C2(C(N=C3N)(OCC)OCC)C#N)C#N

InChI

InChI=1S/C25H34N4O3/c1-4-7-8-9-10-11-16-30-20-14-12-19(13-15-20)21-23(17-26)22(28)29-25(31-5-2,32-6-3)24(21,23)18-27/h12-15,21H,4-11,16H2,1-3H3,(H2,28,29)