(7S,8R,8aR)-6-azanylidene-2-ethyl-8-pyridin-4-yl-3,7,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile

Systemtic Name: (7S,8R,8aR)-6-azanylidene-2-ethyl-8-pyridin-4-yl-3,7,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile Openeye Name: (7S,8R,8aR)-2-ethyl-6-imino-8-(4-pyridyl)-3,7,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile CAS Name: (7S,8R,8aR)-2-ethyl-6-imino-8-pyridin-4-yl-3,7,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile IUPAC Name: (7S,8R,8aR)-2-ethyl-6-imino-8-pyridin-4-yl-3,7,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile Traditional Name: (7S,8R,8aR)-2-ethyl-6-imino-8-(4-pyridyl)-3,7,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile Formula: C19H18N6 MolecularWeight: 330.38642

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC=C2C(C1)C(C(C(=N)C2(C#N)C#N)C#N)C3=CC=NC=C3

Isomeric SMILES

CCN1CC=C2[C@H](C1)[C@H]([C@@H](C(=N)C2(C#N)C#N)C#N)C3=CC=NC=C3

InChI

InChI=1S/C19H18N6/c1-2-25-8-5-16-15(10-25)17(13-3-6-24-7-4-13)14(9-20)18(23)19(16,11-21)12-22/h3-7,14-15,17,23H,2,8,10H2,1H3/t14-,15-,17-/m0/s1