4-(aminomethyl)-N-[3-(4-fluorophenyl)-1-oxidanylidene-1-(quinolin-3-ylamino)propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[3-(4-fluorophenyl)-1-oxidanylidene-1-(quinolin-3-ylamino)propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 4-(aminomethyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-2-(3-quinolylamino)ethyl]pyrrolidine-2-carboxamide CAS Name: 4-(aminomethyl)-N-[3-(4-fluorophenyl)-1-oxo-1-(3-quinolinylamino)propan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 4-(aminomethyl)-N-[3-(4-fluorophenyl)-1-oxo-1-(quinolin-3-ylamino)propan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 4-(aminomethyl)-N-[1-(4-fluorobenzyl)-2-keto-2-(3-quinolylamino)ethyl]pyrrolidine-2-carboxamide Formula: C24H26FN5O2 MolecularWeight: 435.493943

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)NC(CC2=CC=C(C=C2)F)C(=O)NC3=CC4=CC=CC=C4N=C3)CN

Isomeric SMILES

C1C(CNC1C(=O)NC(CC2=CC=C(C=C2)F)C(=O)NC3=CC4=CC=CC=C4N=C3)CN

InChI

InChI=1S/C24H26FN5O2/c25-18-7-5-15(6-8-18)9-22(30-23(31)21-10-16(12-26)13-27-21)24(32)29-19-11-17-3-1-2-4-20(17)28-14-19/h1-8,11,14,16,21-22,27H,9-10,12-13,26H2,(H,29,32)(H,30,31)