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

Systemtic Name: 1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-[6-(3-bromoanilino)-4-pyrimidinyl]-N-[(3-chlorophenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(3-chlorobenzyl)pyrrolidine-2-carboxamide Formula: C22H21BrClN5O MolecularWeight: 486.79204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC(N(C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H21BrClN5O/c23-16-5-2-7-18(11-16)28-20-12-21(27-14-26-20)29-9-3-8-19(29)22(30)25-13-15-4-1-6-17(24)10-15/h1-2,4-7,10-12,14,19H,3,8-9,13H2,(H,25,30)(H,26,27,28)