6-azanyl-2-(2,2-dimethylpropanoyl)-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-2-(2,2-dimethylpropanoyl)-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-(2,2-dimethylpropanoyl)-8-(3-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-2-(2,2-dimethyl-1-oxopropyl)-8-(3-thiophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-(2,2-dimethylpropanoyl)-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-pivaloyl-8-(3-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c1-20(2,3)19(27)26-6-4-14-15(8-22)18(25)21(11-23,12-24)17(16(14)9-26)13-5-7-28-10-13/h4-5,7,10,16-17H,6,9,25H2,1-3H3