N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-(2-cyclopropyl-2-oxidanyl-2-pyridin-2-yl-ethanoyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-(2-cyclopropyl-2-oxidanyl-2-pyridin-2-yl-ethanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[2-cyclopropyl-2-hydroxy-2-(2-pyridyl)acetyl]pyrrolidine-2-carboxamide CAS Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-[2-cyclopropyl-2-hydroxy-1-oxo-2-(2-pyridinyl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(2-cyclopropyl-2-hydroxy-2-pyridin-2-ylacetyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(aminomethyl)-5-chloro-benzyl]-1-[2-cyclopropyl-2-hydroxy-2-(2-pyridyl)acetyl]pyrrolidine-2-carboxamide Formula: C23H27ClN4O3 MolecularWeight: 442.93848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(C2CC2)(C3=CC=CC=N3)O)C(=O)NCC4=C(C=CC(=C4)Cl)CN

Isomeric SMILES

C1CC(N(C1)C(=O)C(C2CC2)(C3=CC=CC=N3)O)C(=O)NCC4=C(C=CC(=C4)Cl)CN

InChI

InChI=1S/C23H27ClN4O3/c24-18-9-6-15(13-25)16(12-18)14-27-21(29)19-4-3-11-28(19)22(30)23(31,17-7-8-17)20-5-1-2-10-26-20/h1-2,5-6,9-10,12,17,19,31H,3-4,7-8,11,13-14,25H2,(H,27,29)