N-(2-azanylethyl)-1-(4-fluorophenyl)carbonyl-4-[phenethyl-(phenylmethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-fluorophenyl)carbonyl-4-[phenethyl-(phenylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[benzyl(phenethyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-fluorophenyl)-oxomethyl]-4-[phenethyl-(phenylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[benzyl(phenethyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[benzyl(phenethyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide Formula: C29H33FN4O2 MolecularWeight: 488.596323

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCCN)C(=O)C2=CC=C(C=C2)F)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C(CN(C1C(=O)NCCN)C(=O)C2=CC=C(C=C2)F)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H33FN4O2/c30-25-13-11-24(12-14-25)29(36)34-21-26(19-27(34)28(35)32-17-16-31)33(20-23-9-5-2-6-10-23)18-15-22-7-3-1-4-8-22/h1-14,26-27H,15-21,31H2,(H,32,35)