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

Systemtic Name: 4-(2-azanylethanoylamino)-N-[3-(4-fluorophenyl)-1-oxidanylidene-1-(quinolin-3-ylamino)propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 4-[(2-aminoacetyl)amino]-N-[1-[(4-fluorophenyl)methyl]-2-oxo-2-(3-quinolylamino)ethyl]pyrrolidine-2-carboxamide CAS Name: 4-[(2-amino-1-oxoethyl)amino]-N-[3-(4-fluorophenyl)-1-oxo-1-(3-quinolinylamino)propan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 4-[(2-aminoacetyl)amino]-N-[3-(4-fluorophenyl)-1-oxo-1-(quinolin-3-ylamino)propan-2-yl]pyrrolidine-2-carboxamide Traditional Name: N-[1-(4-fluorobenzyl)-2-keto-2-(3-quinolylamino)ethyl]-4-(glycylamino)pyrrolidine-2-carboxamide Formula: C25H27FN6O3 MolecularWeight: 478.518683

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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)NC(=O)CN

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN6O3/c26-17-7-5-15(6-8-17)9-22(32-24(34)21-11-19(14-29-21)30-23(33)12-27)25(35)31-18-10-16-3-1-2-4-20(16)28-13-18/h1-8,10,13,19,21-22,29H,9,11-12,14,27H2,(H,30,33)(H,31,35)(H,32,34)