N-(1,3-benzodioxol-5-ylmethyl)-2-[[(5S,7R)-3-bromanyl-1-adamantyl]methylamino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(5S,7R)-3-bromanyl-1-adamantyl]methylamino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(5S,7R)-3-bromo-1-adamantyl]methylamino]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(5S,7R)-3-bromo-1-adamantyl]methylamino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(5S,7R)-3-bromo-1-adamantyl]methylamino]acetamide Traditional Name: 2-[[(5S,7R)-3-bromo-1-adamantyl]methylamino]-N-piperonyl-acetamide Formula: C21H27BrN2O3 MolecularWeight: 435.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CNCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)CNCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H27BrN2O3/c22-21-7-15-3-16(8-21)6-20(5-15,11-21)12-23-10-19(25)24-9-14-1-2-17-18(4-14)27-13-26-17/h1-2,4,15-16,23H,3,5-13H2,(H,24,25)/t15-,16+,20?,21?