(8S,8aS)-6-azanyl-2-phenyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (8S,8aS)-6-azanyl-2-phenyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8S,8aS)-6-amino-2-phenyl-8-(3-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8S,8aS)-6-amino-2-phenyl-8-(3-pyridinyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8S,8aS)-6-amino-2-phenyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8S,8aS)-6-amino-2-phenyl-8-(3-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C23H18N6 MolecularWeight: 378.42922

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CN1C3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CN=CC=C4

Isomeric SMILES

C1C=C2[C@@H](CN1C3=CC=CC=C3)[C@H](C(C(=C2C#N)N)(C#N)C#N)C4=CN=CC=C4

InChI

InChI=1S/C23H18N6/c24-11-19-18-8-10-29(17-6-2-1-3-7-17)13-20(18)21(16-5-4-9-28-12-16)23(14-25,15-26)22(19)27/h1-9,12,20-21H,10,13,27H2/t20-,21-/m1/s1