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

Systemtic Name: (8S,8aR)-6-azanyl-2-ethanoyl-8-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8S,8aR)-2-acetyl-6-amino-8-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8S,8aR)-2-acetyl-6-amino-8-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8S,8aR)-2-acetyl-6-amino-8-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8S,8aR)-2-acetyl-6-amino-8-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C15H15N5O MolecularWeight: 281.3125

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C

Isomeric SMILES

C[C@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C

InChI

InChI=1S/C15H15N5O/c1-9-13-6-20(10(2)21)4-3-11(13)12(5-16)14(19)15(9,7-17)8-18/h3,9,13H,4,6,19H2,1-2H3/t9-,13+/m0/s1