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

Systemtic Name: 1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]-N-cyclooctyl-pyrrolidine-2-carboxamide Openeye Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-cyclooctyl-pyrrolidine-2-carboxamide CAS Name: 1-[6-(3-bromoanilino)-4-pyrimidinyl]-N-cyclooctyl-2-pyrrolidinecarboxamide IUPAC Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-cyclooctylpyrrolidine-2-carboxamide Traditional Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-cyclooctyl-pyrrolidine-2-carboxamide Formula: C23H30BrN5O MolecularWeight: 472.4212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2CCCN2C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2CCCN2C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H30BrN5O/c24-17-8-6-11-19(14-17)27-21-15-22(26-16-25-21)29-13-7-12-20(29)23(30)28-18-9-4-2-1-3-5-10-18/h6,8,11,14-16,18,20H,1-5,7,9-10,12-13H2,(H,28,30)(H,25,26,27)