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

Systemtic Name: 2-azanyl-4,4-dibutoxy-6-(3-chlorophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-4,4-dibutoxy-6-(3-chlorophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-4,4-dibutoxy-6-(3-chlorophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-4,4-dibutoxy-6-(3-chlorophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-4,4-dibutoxy-6-(3-chlorophenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O2/c1-3-5-10-27-21(28-11-6-4-2)20(14-24)17(15-8-7-9-16(22)12-15)19(20,13-23)18(25)26-21/h7-9,12,17H,3-6,10-11H2,1-2H3,(H2,25,26)