(3R,3aR)-3-(piperazin-1-ylmethyl)-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole

Systemtic Name: (3R,3aR)-3-(piperazin-1-ylmethyl)-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole Openeye Name: (3R,3aR)-3-(piperazin-1-ylmethyl)-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole CAS Name: (3R,3aR)-3-(1-piperazinylmethyl)-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole IUPAC Name: (3R,3aR)-3-(piperazin-1-ylmethyl)-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole Traditional Name: (3R,3aR)-3-(piperazinomethyl)-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C3=NOC(C31)CN4CCNCC4

Isomeric SMILES

C1CC2=CC=CC=C2C3=NO[C@H]([C@@H]31)CN4CCNCC4

InChI

InChI=1S/C16H21N3O/c1-2-4-13-12(3-1)5-6-14-15(20-18-16(13)14)11-19-9-7-17-8-10-19/h1-4,14-15,17H,5-11H2/t14-,15-/m0/s1