(2S,4S)-4-(2-adamantylamino)-1-[(3-chlorophenyl)methyl]-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-4-(2-adamantylamino)-1-[(3-chlorophenyl)methyl]-N-methyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-4-(2-adamantylamino)-1-[(3-chlorophenyl)methyl]-N-methyl-pyrrolidine-2-carboxamide CAS Name: (2S,4S)-4-(2-adamantylamino)-1-[(3-chlorophenyl)methyl]-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-4-(2-adamantylamino)-1-[(3-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide Traditional Name: (2S,4S)-4-(2-adamantylamino)-1-(3-chlorobenzyl)-N-methyl-pyrrolidine-2-carboxamide Formula: C23H32ClN3O MolecularWeight: 401.97268

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC(CN1CC2=CC(=CC=C2)Cl)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CNC(=O)[C@@H]1C[C@@H](CN1CC2=CC(=CC=C2)Cl)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H32ClN3O/c1-25-23(28)21-11-20(13-27(21)12-14-3-2-4-19(24)10-14)26-22-17-6-15-5-16(8-17)9-18(22)7-15/h2-4,10,15-18,20-22,26H,5-9,11-13H2,1H3,(H,25,28)/t15?,16?,17?,18?,20-,21-,22?/m0/s1