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

Systemtic Name: 2-azanyl-4,4-dibutoxy-6-(4-octoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-4,4-dibutoxy-6-(4-octoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-4,4-dibutoxy-6-(4-octoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-4,4-dibutoxy-6-(4-octoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-4,4-dibutoxy-6-(4-octoxyphenyl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C29H42N4O3 MolecularWeight: 494.66878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N4O3/c1-4-7-10-11-12-13-18-34-24-16-14-23(15-17-24)25-27(21-30)26(32)33-29(28(25,27)22-31,35-19-8-5-2)36-20-9-6-3/h14-17,25H,4-13,18-20H2,1-3H3,(H2,32,33)