(7S,8R,8aR)-6-azanylidene-8-phenyl-2-propan-2-yl-3,7,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile

Systemtic Name: (7S,8R,8aR)-6-azanylidene-8-phenyl-2-propan-2-yl-3,7,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile Openeye Name: (7S,8R,8aR)-6-imino-2-isopropyl-8-phenyl-3,7,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile CAS Name: (7S,8R,8aR)-6-imino-8-phenyl-2-propan-2-yl-3,7,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile IUPAC Name: (7S,8R,8aR)-6-imino-8-phenyl-2-propan-2-yl-3,7,8,8a-tetrahydro-1H-isoquinoline-5,5,7-tricarbonitrile Traditional Name: (7S,8R,8aR)-6-imino-2-isopropyl-8-phenyl-3,7,8,8a-tetrahydro-1H-isoquinoline-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(=N)C2(C#N)C#N)C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)N1CC=C2[C@H](C1)[C@H]([C@@H](C(=N)C2(C#N)C#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/h3-8,14,16-17,19,25H,9,11H2,1-2H3/t16-,17-,19-/m0/s1