(5S,7R)-N-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-oxidanyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[2-(4-chloroanilino)-2-oxo-ethyl]-3-hydroxy-N-methyl-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[2-(4-chloroanilino)-2-oxoethyl]-3-hydroxy-N-methyl-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[2-(4-chloroanilino)-2-oxoethyl]-3-hydroxy-N-methyladamantane-1-carboxamide Traditional Name: (5S,7R)-N-[2-(4-chloroanilino)-2-keto-ethyl]-3-hydroxy-N-methyl-adamantane-1-carboxamide Formula: C20H25ClN2O3 MolecularWeight: 376.8771

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C20H25ClN2O3/c1-23(11-17(24)22-16-4-2-15(21)3-5-16)18(25)19-7-13-6-14(8-19)10-20(26,9-13)12-19/h2-5,13-14,26H,6-12H2,1H3,(H,22,24)/t13-,14+,19?,20?