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

Systemtic Name: 6-azanyl-8-(3-chlorophenyl)-2-ethanoyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 2-acetyl-6-amino-8-(3-chlorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 2-acetyl-6-amino-8-(3-chlorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 2-acetyl-6-amino-8-(3-chlorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 2-acetyl-6-amino-8-(3-chlorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C20H16ClN5O MolecularWeight: 377.82694

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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)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN5O/c1-12(27)26-6-5-15-16(8-22)19(25)20(10-23,11-24)18(17(15)9-26)13-3-2-4-14(21)7-13/h2-5,7,17-18H,6,9,25H2,1H3