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

Systemtic Name: 2-azanyl-6-(3-phenylmethoxyphenyl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-6-(3-benzyloxyphenyl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-6-(3-phenylmethoxyphenyl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-6-(3-phenylmethoxyphenyl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-6-(3-benzoxyphenyl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4)C#N)OCCC

Isomeric SMILES

CCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4)C#N)OCCC

InChI

InChI=1S/C26H28N4O3/c1-3-13-32-26(33-14-4-2)25(18-28)22(24(25,17-27)23(29)30-26)20-11-8-12-21(15-20)31-16-19-9-6-5-7-10-19/h5-12,15,22H,3-4,13-14,16H2,1-2H3,(H2,29,30)