N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(4-fluorophenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-(4-fluorophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-1-[(4-fluorophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-[(3-amino-2-hydroxy-propyl)amino]-2-keto-1-(2-naphthylmethyl)ethyl]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide Formula: C28H31FN4O4 MolecularWeight: 506.568543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCC(CN)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCC(CN)O

InChI

InChI=1S/C28H31FN4O4/c29-22-11-9-20(10-12-22)28(37)33-13-3-6-25(33)27(36)32-24(26(35)31-17-23(34)16-30)15-18-7-8-19-4-1-2-5-21(19)14-18/h1-2,4-5,7-12,14,23-25,34H,3,6,13,15-17,30H2,(H,31,35)(H,32,36)