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

Systemtic Name: 6-azanyl-2-ethanoyl-8-(phenylmethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 2-acetyl-6-amino-8-benzyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 2-acetyl-6-amino-8-(phenylmethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 2-acetyl-6-amino-8-benzyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 2-acetyl-6-amino-8-benzyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C21H19N5O MolecularWeight: 357.40846

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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)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H19N5O/c1-14(27)26-8-7-16-17(10-22)20(25)21(12-23,13-24)19(18(16)11-26)9-15-5-3-2-4-6-15/h2-7,18-19H,8-9,11,25H2,1H3