6-azanyl-2-ethanoyl-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-2-ethanoyl-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 2-acetyl-6-amino-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 2-acetyl-6-amino-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 2-acetyl-6-amino-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 2-acetyl-6-amino-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-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(=C2C#N)N)(C#N)C#N)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)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/h2-6,9,19-20H,7-8,10,12,26H2,1H3