6-azanyl-2-[(3-methoxyphenyl)methyl]-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-2-[(3-methoxyphenyl)methyl]-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-[(3-methoxyphenyl)methyl]-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-2-[(3-methoxyphenyl)methyl]-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-[(3-methoxyphenyl)methyl]-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-m-anisyl-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C26H23N5O MolecularWeight: 421.49372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC=C3C(C2)C(C(C(=C3C#N)N)(C#N)C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC=C3C(C2)C(C(C(=C3C#N)N)(C#N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H23N5O/c1-32-20-9-5-6-18(12-20)14-31-11-10-21-22(13-27)25(30)26(16-28,17-29)24(23(21)15-31)19-7-3-2-4-8-19/h2-10,12,23-24H,11,14-15,30H2,1H3