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

Systemtic Name: (8S,8aS)-6-azanyl-8-phenyl-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile Openeye Name: (8S,8aS)-6-amino-2-isopropyl-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile CAS Name: (8S,8aS)-6-amino-8-phenyl-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile IUPAC Name: (8S,8aS)-6-amino-8-phenyl-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile Traditional Name: (8S,8aS)-6-amino-2-isopropyl-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,5,7-tricarbonitrile Formula: C21H21N5 MolecularWeight: 343.42494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5/c1-14(2)26-9-8-18-17(11-26)19(15-6-4-3-5-7-15)16(10-22)20(25)21(18,12-23)13-24/h3-8,14,17,19H,9,11,25H2,1-2H3/t17-,19+/m1/s1