(10R,10aS)-10-(1,2,4-triazol-1-yl)-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline

Systemtic Name: (10R,10aS)-10-(1,2,4-triazol-1-yl)-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline Openeye Name: (10R,10aS)-10-(1,2,4-triazol-1-yl)-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline CAS Name: (10R,10aS)-10-(1,2,4-triazol-1-yl)-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline IUPAC Name: (10R,10aS)-10-(1,2,4-triazol-1-yl)-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline Traditional Name: (10R,10aS)-10-(1,2,4-triazol-1-yl)-1,2,3,5,10,10a-hexahydropyrrol[1,2-b]isoquinoline Formula: C14H16N4 MolecularWeight: 240.30364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C3=CC=CC=C3CN2C1)N4C=NC=N4

Isomeric SMILES

C1C[C@H]2[C@@H](C3=CC=CC=C3CN2C1)N4C=NC=N4

InChI

InChI=1S/C14H16N4/c1-2-5-12-11(4-1)8-17-7-3-6-13(17)14(12)18-10-15-9-16-18/h1-2,4-5,9-10,13-14H,3,6-8H2/t13-,14+/m0/s1