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

Systemtic Name: (8S,8aR)-6-azanyl-2-propan-2-yl-8-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8S,8aR)-6-amino-2-isopropyl-8-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8S,8aR)-6-amino-2-propan-2-yl-8-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8S,8aR)-6-amino-2-propan-2-yl-8-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8S,8aR)-6-amino-2-isopropyl-8-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C18H23N5 MolecularWeight: 309.40872

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(C)C

Isomeric SMILES

CCC[C@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(C)C

InChI

InChI=1S/C18H23N5/c1-4-5-16-15-9-23(12(2)3)7-6-13(15)14(8-19)17(22)18(16,10-20)11-21/h6,12,15-16H,4-5,7,9,22H2,1-3H3/t15-,16-/m0/s1