1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-[6-(3-bromoanilino)-4-pyrimidinyl]-N-[(2-fluorophenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(2-fluorobenzyl)pyrrolidine-2-carboxamide Formula: C22H21BrFN5O MolecularWeight: 470.337443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCC4=CC=CC=C4F

Isomeric SMILES

C1CC(N(C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCC4=CC=CC=C4F

InChI

InChI=1S/C22H21BrFN5O/c23-16-6-3-7-17(11-16)28-20-12-21(27-14-26-20)29-10-4-9-19(29)22(30)25-13-15-5-1-2-8-18(15)24/h1-3,5-8,11-12,14,19H,4,9-10,13H2,(H,25,30)(H,26,27,28)