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

Systemtic Name: (8S,8aS)-6-azanylidene-8-phenyl-2-propan-2-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Openeye Name: (8S,8aS)-6-imino-2-isopropyl-8-phenyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile CAS Name: (8S,8aS)-6-imino-8-phenyl-2-propan-2-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8S,8aS)-6-imino-8-phenyl-2-propan-2-yl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Traditional Name: (8S,8aS)-6-imino-2-isopropyl-8-phenyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-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)C2C#N)(C#N)C#N)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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