(8R,8aS)-6-azanylidene-2-phenyl-8-pyridin-3-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (8R,8aS)-6-azanylidene-2-phenyl-8-pyridin-3-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Openeye Name: (8R,8aS)-6-imino-2-phenyl-8-(3-pyridyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile CAS Name: (8R,8aS)-6-imino-2-phenyl-8-(3-pyridinyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8R,8aS)-6-imino-2-phenyl-8-pyridin-3-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Traditional Name: (8R,8aS)-6-imino-2-phenyl-8-(3-pyridyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Formula: C23H18N6 MolecularWeight: 378.42922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C=C2[C@@H](CN1C3=CC=CC=C3)[C@@H](C(C(=N)C2C#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/h1-9,12,19-21,27H,10,13H2/t19?,20-,21+/m1/s1