6-(2-azanyl-4-ethoxy-phenyl)-5-ethoxy-2-methyl-1,3,8,8a-tetrahydroisoquinoline-7,7,8-tricarbonitrile

Systemtic Name: 6-(2-azanyl-4-ethoxy-phenyl)-5-ethoxy-2-methyl-1,3,8,8a-tetrahydroisoquinoline-7,7,8-tricarbonitrile Openeye Name: 6-(2-amino-4-ethoxy-phenyl)-5-ethoxy-2-methyl-1,3,8,8a-tetrahydroisoquinoline-7,7,8-tricarbonitrile CAS Name: 6-(2-amino-4-ethoxyphenyl)-5-ethoxy-2-methyl-1,3,8,8a-tetrahydroisoquinoline-7,7,8-tricarbonitrile IUPAC Name: 6-(2-amino-4-ethoxyphenyl)-5-ethoxy-2-methyl-1,3,8,8a-tetrahydroisoquinoline-7,7,8-tricarbonitrile Traditional Name: 6-(2-amino-4-ethoxy-phenyl)-5-ethoxy-2-methyl-1,3,8,8a-tetrahydroisoquinoline-7,7,8-tricarbonitrile Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=C(C3=CCN(CC3C(C2(C#N)C#N)C#N)C)OCC)N

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=C(C3=CCN(CC3C(C2(C#N)C#N)C#N)C)OCC)N

InChI

InChI=1S/C23H25N5O2/c1-4-29-15-6-7-17(20(27)10-15)21-22(30-5-2)16-8-9-28(3)12-18(16)19(11-24)23(21,13-25)14-26/h6-8,10,18-19H,4-5,9,12,27H2,1-3H3