(3R,8R,8aR)-6-azanyl-2,3,8a-trimethyl-8-phenyl-3,8-dihydro-1H-isoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (3R,8R,8aR)-6-azanyl-2,3,8a-trimethyl-8-phenyl-3,8-dihydro-1H-isoquinoline-5,7,7-tricarbonitrile Openeye Name: (3R,8R,8aR)-6-amino-2,3,8a-trimethyl-8-phenyl-3,8-dihydro-1H-isoquinoline-5,7,7-tricarbonitrile CAS Name: (3R,8R,8aR)-6-amino-2,3,8a-trimethyl-8-phenyl-3,8-dihydro-1H-isoquinoline-5,7,7-tricarbonitrile IUPAC Name: (3R,8R,8aR)-6-amino-2,3,8a-trimethyl-8-phenyl-3,8-dihydro-1H-isoquinoline-5,7,7-tricarbonitrile Traditional Name: (3R,8R,8aR)-6-amino-2,3,8a-trimethyl-8-phenyl-3,8-dihydro-1H-isoquinoline-5,7,7-tricarbonitrile Formula: C21H21N5 MolecularWeight: 343.42494

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C2C(=C(C(C(C2(CN1C)C)C3=CC=CC=C3)(C#N)C#N)N)C#N

Isomeric SMILES

C[C@@H]1C=C2C(=C(C([C@@H]([C@]2(CN1C)C)C3=CC=CC=C3)(C#N)C#N)N)C#N

InChI

InChI=1S/C21H21N5/c1-14-9-17-16(10-22)19(25)21(11-23,12-24)18(15-7-5-4-6-8-15)20(17,2)13-26(14)3/h4-9,14,18H,13,25H2,1-3H3/t14-,18-,20+/m1/s1