(5S,7R)-3-acetamido-N-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[2-(2-chloroanilino)-2-oxo-ethyl]-N-methyl-adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyladamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[2-(2-chloroanilino)-2-keto-ethyl]-N-methyl-adamantane-1-carboxamide Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N(C)CC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)N(C)CC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C22H28ClN3O3/c1-14(27)25-22-10-15-7-16(11-22)9-21(8-15,13-22)20(29)26(2)12-19(28)24-18-6-4-3-5-17(18)23/h3-6,15-16H,7-13H2,1-2H3,(H,24,28)(H,25,27)/t15-,16+,21?,22?