N-[(5S,7R)-3-[[2-(1H-benzimidazol-2-yl)ethanoylamino]carbamoyl]-1-adamantyl]ethanamide

Systemtic Name: N-[(5S,7R)-3-[[2-(1H-benzimidazol-2-yl)ethanoylamino]carbamoyl]-1-adamantyl]ethanamide Openeye Name: N-[(5S,7R)-3-[[[2-(1H-benzimidazol-2-yl)acetyl]amino]carbamoyl]-1-adamantyl]acetamide CAS Name: N-[(5S,7R)-3-[[[2-(1H-benzimidazol-2-yl)-1-oxoethyl]hydrazo]-oxomethyl]-1-adamantyl]acetamide IUPAC Name: N-[(5S,7R)-3-[[[2-(1H-benzimidazol-2-yl)acetyl]amino]carbamoyl]-1-adamantyl]acetamide Traditional Name: N-[(5S,7R)-3-[[[2-(1H-benzimidazol-2-yl)acetyl]amino]carbamoyl]-1-adamantyl]acetamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NNC(=O)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NNC(=O)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H27N5O3/c1-13(28)25-22-10-14-6-15(11-22)9-21(8-14,12-22)20(30)27-26-19(29)7-18-23-16-4-2-3-5-17(16)24-18/h2-5,14-15H,6-12H2,1H3,(H,23,24)(H,25,28)(H,26,29)(H,27,30)/t14-,15+,21?,22?