2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(1-propylbenzimidazol-2-yl)ethanamide

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(1-propylbenzimidazol-2-yl)ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(1-propylbenzimidazol-2-yl)acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(1-propyl-2-benzimidazolyl)acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(1-propylbenzimidazol-2-yl)acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(1-propylbenzimidazol-2-yl)acetamide Formula: C22H28BrN3O MolecularWeight: 430.38122

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1NC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H28BrN3O/c1-2-7-26-18-6-4-3-5-17(18)24-20(26)25-19(27)13-21-9-15-8-16(10-21)12-22(23,11-15)14-21/h3-6,15-16H,2,7-14H2,1H3,(H,24,25,27)/t15-,16+,21?,22?