4-(aminomethyl)-N-[1-[(6-fluoranylquinolin-3-yl)amino]-1-oxidanylidene-4-phenyl-butan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[1-[(6-fluoranylquinolin-3-yl)amino]-1-oxidanylidene-4-phenyl-butan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 4-(aminomethyl)-N-[1-[(6-fluoro-3-quinolyl)carbamoyl]-3-phenyl-propyl]pyrrolidine-2-carboxamide CAS Name: 4-(aminomethyl)-N-[1-[(6-fluoro-3-quinolinyl)amino]-1-oxo-4-phenylbutan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 4-(aminomethyl)-N-[1-[(6-fluoroquinolin-3-yl)amino]-1-oxo-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 4-(aminomethyl)-N-[1-[(6-fluoro-3-quinolyl)carbamoyl]-3-phenyl-propyl]pyrrolidine-2-carboxamide Formula: C25H28FN5O2 MolecularWeight: 449.520523

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=CN=C4C=CC(=CC4=C3)F)CN

Isomeric SMILES

C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=CN=C4C=CC(=CC4=C3)F)CN

InChI

InChI=1S/C25H28FN5O2/c26-19-7-9-21-18(11-19)12-20(15-29-21)30-24(32)22(8-6-16-4-2-1-3-5-16)31-25(33)23-10-17(13-27)14-28-23/h1-5,7,9,11-12,15,17,22-23,28H,6,8,10,13-14,27H2,(H,30,32)(H,31,33)