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

Systemtic Name: (8S,8aR)-6-azanyl-2-ethyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Openeye Name: (8S,8aR)-6-amino-2-ethyl-8-(3-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol CAS Name: (8S,8aR)-6-amino-2-ethyl-8-(3-pyridinyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol IUPAC Name: (8S,8aR)-6-amino-2-ethyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Traditional Name: (8S,8aR)-6-amino-2-ethyl-8-(3-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Formula: C21H24N6O MolecularWeight: 376.45486

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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.CCO

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6.C2H6O/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;1-2-3/h3-6,9,16-17H,2,7,10,23H2,1H3;3H,2H2,1H3/t16-,17+;/m0./s1