(8R,8aS)-6-azanylidene-8-phenyl-2-(phenylmethyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (8R,8aS)-6-azanylidene-8-phenyl-2-(phenylmethyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Openeye Name: (8R,8aS)-2-benzyl-6-imino-8-phenyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile CAS Name: (8R,8aS)-6-imino-8-phenyl-2-(phenylmethyl)-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8R,8aS)-2-benzyl-6-imino-8-phenyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Traditional Name: (8R,8aS)-2-benzyl-6-imino-8-phenyl-3,5,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Formula: C25H21N5 MolecularWeight: 391.46774

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CN1CC3=CC=CC=C3)C(C(C(=N)C2C#N)(C#N)C#N)C4=CC=CC=C4

Isomeric SMILES

C1C=C2[C@@H](CN1CC3=CC=CC=C3)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H21N5/c26-13-21-20-11-12-30(14-18-7-3-1-4-8-18)15-22(20)23(19-9-5-2-6-10-19)25(16-27,17-28)24(21)29/h1-11,21-23,29H,12,14-15H2/t21?,22-,23+/m1/s1