N-[(5S,7R)-3-[[(4-bromophenyl)carbonylamino]carbamoyl]-1-adamantyl]ethanamide

Systemtic Name: N-[(5S,7R)-3-[[(4-bromophenyl)carbonylamino]carbamoyl]-1-adamantyl]ethanamide Openeye Name: N-[(5S,7R)-3-[[(4-bromobenzoyl)amino]carbamoyl]-1-adamantyl]acetamide CAS Name: N-[(5S,7R)-3-[[[(4-bromophenyl)-oxomethyl]hydrazo]-oxomethyl]-1-adamantyl]acetamide IUPAC Name: N-[(5S,7R)-3-[[(4-bromobenzoyl)amino]carbamoyl]-1-adamantyl]acetamide Traditional Name: N-[(5S,7R)-3-[[(4-bromobenzoyl)amino]carbamoyl]-1-adamantyl]acetamide Formula: C20H24BrN3O3 MolecularWeight: 434.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NNC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NNC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H24BrN3O3/c1-12(25)22-20-9-13-6-14(10-20)8-19(7-13,11-20)18(27)24-23-17(26)15-2-4-16(21)5-3-15/h2-5,13-14H,6-11H2,1H3,(H,22,25)(H,23,26)(H,24,27)/t13-,14+,19?,20?