(3S,10aR)-3-(4-nitrophenyl)-1,2,3,5,10,10a-hexahydroimidazo[1,5-b]isoquinoline

Systemtic Name: (3S,10aR)-3-(4-nitrophenyl)-1,2,3,5,10,10a-hexahydroimidazo[1,5-b]isoquinoline Openeye Name: (3S,10aR)-3-(4-nitrophenyl)-1,2,3,5,10,10a-hexahydroimidazo[1,5-b]isoquinoline CAS Name: (3S,10aR)-3-(4-nitrophenyl)-1,2,3,5,10,10a-hexahydroimidazo[1,5-b]isoquinoline IUPAC Name: (3S,10aR)-3-(4-nitrophenyl)-1,2,3,5,10,10a-hexahydroimidazo[1,5-b]isoquinoline Traditional Name: (3S,10aR)-3-(4-nitrophenyl)-1,2,3,5,10,10a-hexahydroimidaz[1,5-b]isoquinoline Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CNC(N2CC3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H]2CN[C@@H](N2CC3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O2/c21-20(22)15-7-5-12(6-8-15)17-18-10-16-9-13-3-1-2-4-14(13)11-19(16)17/h1-8,16-18H,9-11H2/t16-,17+/m1/s1