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

Systemtic Name: 6-azanyl-8-(3-bromophenyl)-2-ethanoyl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile Openeye Name: 2-acetyl-6-amino-8-(3-bromophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile CAS Name: 2-acetyl-6-amino-8-(3-bromophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile IUPAC Name: 2-acetyl-6-amino-8-(3-bromophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile Traditional Name: 2-acetyl-6-amino-8-(3-bromophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile Formula: C20H16BrN5O MolecularWeight: 422.27794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(=O)N1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H16BrN5O/c1-12(27)26-6-5-17-16(9-26)18(13-3-2-4-14(21)7-13)15(8-22)19(25)20(17,10-23)11-24/h2-5,7,16,18H,6,9,25H2,1H3