(2S,4R)-1-[(3-chlorophenyl)methyl]-N-propan-2-yl-4-(pyridin-4-ylmethylamino)pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-1-[(3-chlorophenyl)methyl]-N-propan-2-yl-4-(pyridin-4-ylmethylamino)pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-1-[(3-chlorophenyl)methyl]-N-isopropyl-4-(4-pyridylmethylamino)pyrrolidine-2-carboxamide CAS Name: (2S,4R)-1-[(3-chlorophenyl)methyl]-N-propan-2-yl-4-(pyridin-4-ylmethylamino)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-1-[(3-chlorophenyl)methyl]-N-propan-2-yl-4-(pyridin-4-ylmethylamino)pyrrolidine-2-carboxamide Traditional Name: (2S,4R)-1-(3-chlorobenzyl)-N-isopropyl-4-(4-pyridylmethylamino)pyrrolidine-2-carboxamide Formula: C21H27ClN4O MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(CN1CC2=CC(=CC=C2)Cl)NCC3=CC=NC=C3

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](CN1CC2=CC(=CC=C2)Cl)NCC3=CC=NC=C3

InChI

InChI=1S/C21H27ClN4O/c1-15(2)25-21(27)20-11-19(24-12-16-6-8-23-9-7-16)14-26(20)13-17-4-3-5-18(22)10-17/h3-10,15,19-20,24H,11-14H2,1-2H3,(H,25,27)/t19-,20+/m1/s1