N-[[4-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]carbamoyl]benzyl]adamantane-1-carboxamide Formula: C27H31ClN2O3 MolecularWeight: 466.99964

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCC(C5=CC(=CC=C5)Cl)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCC(C5=CC(=CC=C5)Cl)O

InChI

InChI=1S/C27H31ClN2O3/c28-23-3-1-2-22(11-23)24(31)16-29-25(32)21-6-4-17(5-7-21)15-30-26(33)27-12-18-8-19(13-27)10-20(9-18)14-27/h1-7,11,18-20,24,31H,8-10,12-16H2,(H,29,32)(H,30,33)