(8S,8aS)-6-azanylidene-2-ethanoyl-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (8S,8aS)-6-azanylidene-2-ethanoyl-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Openeye Name: (8S,8aS)-2-acetyl-6-imino-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile CAS Name: (8S,8aS)-2-acetyl-6-imino-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8S,8aS)-2-acetyl-6-imino-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Traditional Name: (8S,8aS)-2-acetyl-6-imino-8-phenethyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC=C2C(C1)C(C(C(=N)C2C#N)(C#N)C#N)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CC=C2[C@@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)CCC3=CC=CC=C3

InChI

InChI=1S/C22H21N5O/c1-15(28)27-10-9-17-18(11-23)21(26)22(13-24,14-25)20(19(17)12-27)8-7-16-5-3-2-4-6-16/h2-6,9,18-20,26H,7-8,10,12H2,1H3/t18?,19-,20+/m1/s1