6-azanyl-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C3CNCC=C3C(=C(C2(C#N)C#N)N)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2C3CNCC=C3C(=C(C2(C#N)C#N)N)C#N

InChI

InChI=1S/C20H19N5O2/c1-26-12-3-4-17(27-2)14(7-12)18-16-9-25-6-5-13(16)15(8-21)19(24)20(18,10-22)11-23/h3-5,7,16,18,25H,6,9,24H2,1-2H3