N-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide Openeye Name: N-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide CAS Name: N-[[3-[[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]methyl]phenyl]methyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide Traditional Name: N-[3-[[(4-fluorobenzyl)carbamoylamino]methyl]benzyl]pyrrolidine-1-carboxamide Formula: C21H25FN4O2 MolecularWeight: 384.447203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)NCC2=CC(=CC=C2)CNC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C(=O)NCC2=CC(=CC=C2)CNC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4O2/c22-19-8-6-16(7-9-19)13-23-20(27)24-14-17-4-3-5-18(12-17)15-25-21(28)26-10-1-2-11-26/h3-9,12H,1-2,10-11,13-15H2,(H,25,28)(H2,23,24,27)