4-(aminomethyl)-N-[1-[(5-chloranyl-2-oxidanyl-phenyl)amino]-1-oxidanylidene-4-phenyl-butan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[1-[(5-chloranyl-2-oxidanyl-phenyl)amino]-1-oxidanylidene-4-phenyl-butan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 4-(aminomethyl)-N-[1-[(5-chloro-2-hydroxy-phenyl)carbamoyl]-3-phenyl-propyl]pyrrolidine-2-carboxamide CAS Name: 4-(aminomethyl)-N-[1-(5-chloro-2-hydroxyanilino)-1-oxo-4-phenylbutan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 4-(aminomethyl)-N-[1-(5-chloro-2-hydroxyanilino)-1-oxo-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 4-(aminomethyl)-N-[1-[(5-chloro-2-hydroxy-phenyl)carbamoyl]-3-phenyl-propyl]pyrrolidine-2-carboxamide Formula: C22H27ClN4O3 MolecularWeight: 430.92778

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)Cl)O)CN

Isomeric SMILES

C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)Cl)O)CN

InChI

InChI=1S/C22H27ClN4O3/c23-16-7-9-20(28)18(11-16)27-21(29)17(8-6-14-4-2-1-3-5-14)26-22(30)19-10-15(12-24)13-25-19/h1-5,7,9,11,15,17,19,25,28H,6,8,10,12-13,24H2,(H,26,30)(H,27,29)