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

Systemtic Name: (2S,4S)-4-(2-adamantylamino)-1-[(2-chlorophenyl)methyl]-N-methyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-4-(2-adamantylamino)-1-[(2-chlorophenyl)methyl]-N-methyl-pyrrolidine-2-carboxamide CAS Name: (2S,4S)-4-(2-adamantylamino)-1-[(2-chlorophenyl)methyl]-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-4-(2-adamantylamino)-1-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide Traditional Name: (2S,4S)-4-(2-adamantylamino)-1-(2-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=C2Cl)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CNC(=O)[C@@H]1C[C@@H](CN1CC2=CC=CC=C2Cl)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H32ClN3O/c1-25-23(28)21-11-19(13-27(21)12-16-4-2-3-5-20(16)24)26-22-17-7-14-6-15(9-17)10-18(22)8-14/h2-5,14-15,17-19,21-22,26H,6-13H2,1H3,(H,25,28)/t14?,15?,17?,18?,19-,21-,22?/m0/s1