(8R,8aS)-1,3,8a-triphenyl-4,6,7,8-tetrahydropyrrolo[1,2-d][1,2,4]triazine-8-carbonitrile

Systemtic Name: (8R,8aS)-1,3,8a-triphenyl-4,6,7,8-tetrahydropyrrolo[1,2-d][1,2,4]triazine-8-carbonitrile Openeye Name: (8R,8aS)-1,3,8a-triphenyl-4,6,7,8-tetrahydropyrrolo[1,2-d][1,2,4]triazine-8-carbonitrile CAS Name: (8R,8aS)-1,3,8a-triphenyl-4,6,7,8-tetrahydropyrrolo[1,2-d][1,2,4]triazine-8-carbonitrile IUPAC Name: (8R,8aS)-1,3,8a-triphenyl-4,6,7,8-tetrahydropyrrolo[1,2-d][1,2,4]triazine-8-carbonitrile Traditional Name: (8R,8aS)-1,3,8a-triphenyl-4,6,7,8-tetrahydropyrrolo[1,2-d][1,2,4]triazine-8-carbonitrile Formula: C25H22N4 MolecularWeight: 378.46898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CN(N=C(C2(C1C#N)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN2CN(N=C([C@]2([C@@H]1C#N)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4/c26-18-22-16-17-28-19-29(23-14-8-3-9-15-23)27-24(20-10-4-1-5-11-20)25(22,28)21-12-6-2-7-13-21/h1-15,22H,16-17,19H2/t22-,25+/m0/s1