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

Systemtic Name: (8R,8aS)-6-azanyl-2-propan-2-yl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8R,8aS)-6-amino-2-isopropyl-8-(3-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8R,8aS)-6-amino-2-propan-2-yl-8-(3-pyridinyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8R,8aS)-6-amino-2-propan-2-yl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8R,8aS)-6-amino-2-isopropyl-8-(3-pyridyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C20H20N6 MolecularWeight: 344.413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CN=CC=C3

Isomeric SMILES

CC(C)N1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CN=CC=C3

InChI

InChI=1S/C20H20N6/c1-13(2)26-7-5-15-16(8-21)19(24)20(11-22,12-23)18(17(15)10-26)14-4-3-6-25-9-14/h3-6,9,13,17-18H,7,10,24H2,1-2H3/t17-,18+/m1/s1