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

Systemtic Name: (8S,8aR)-6-azanyl-2-ethyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8S,8aR)-6-amino-2-ethyl-8-(3-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8S,8aR)-6-amino-2-ethyl-8-(3-pyridinyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8S,8aR)-6-amino-2-ethyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8S,8aR)-6-amino-2-ethyl-8-(3-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C19H18N6 MolecularWeight: 330.38642

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CN=CC=C3

Isomeric SMILES

CCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CN=CC=C3

InChI

InChI=1S/C19H18N6/c1-2-25-7-5-14-15(8-20)18(23)19(11-21,12-22)17(16(14)10-25)13-4-3-6-24-9-13/h3-6,9,16-17H,2,7,10,23H2,1H3/t16-,17+/m0/s1