(4aS,5R)-7-azanyl-2-propan-2-yl-5-pyridin-3-yl-3,4,4a,5-tetrahydroisoquinoline-6,6,8-tricarbonitrile

Systemtic Name: (4aS,5R)-7-azanyl-2-propan-2-yl-5-pyridin-3-yl-3,4,4a,5-tetrahydroisoquinoline-6,6,8-tricarbonitrile Openeye Name: (4aS,5R)-7-amino-2-isopropyl-5-(3-pyridyl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8-tricarbonitrile CAS Name: (4aS,5R)-7-amino-2-propan-2-yl-5-(3-pyridinyl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8-tricarbonitrile IUPAC Name: (4aS,5R)-7-amino-2-propan-2-yl-5-pyridin-3-yl-3,4,4a,5-tetrahydroisoquinoline-6,6,8-tricarbonitrile Traditional Name: (4aS,5R)-7-amino-2-isopropyl-5-(3-pyridyl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8-tricarbonitrile Formula: C20H20N6 MolecularWeight: 344.413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC2C(C(C(=C(C2=C1)C#N)N)(C#N)C#N)C3=CN=CC=C3

Isomeric SMILES

CC(C)N1CC[C@H]2[C@@H](C(C(=C(C2=C1)C#N)N)(C#N)C#N)C3=CN=CC=C3

InChI

InChI=1S/C20H20N6/c1-13(2)26-7-5-15-17(10-26)16(8-21)19(24)20(11-22,12-23)18(15)14-4-3-6-25-9-14/h3-4,6,9-10,13,15,18H,5,7,24H2,1-2H3/t15-,18+/m1/s1