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

Systemtic Name: 6-azanyl-2-ethanoyl-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 2-acetyl-6-amino-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 2-acetyl-6-amino-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 2-acetyl-6-amino-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 2-acetyl-6-amino-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C21H19N5O2 MolecularWeight: 373.40786

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2/c1-13(27)26-7-6-16-17(9-22)20(25)21(11-23,12-24)19(18(16)10-26)14-4-3-5-15(8-14)28-2/h3-6,8,18-19H,7,10,25H2,1-2H3