6-azanyl-8-(2,5-dimethoxyphenyl)-2-ethanoyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(2,5-dimethoxyphenyl)-2-ethanoyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 2-acetyl-6-amino-8-(2,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 2-acetyl-6-amino-8-(2,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 2-acetyl-6-amino-8-(2,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 2-acetyl-6-amino-8-(2,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H21N5O3/c1-13(28)27-7-6-15-17(9-23)21(26)22(11-24,12-25)20(18(15)10-27)16-8-14(29-2)4-5-19(16)30-3/h4-6,8,18,20H,7,10,26H2,1-3H3