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

Systemtic Name: 1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]-N-(4-ethylphenyl)pyrrolidine-2-carboxamide Openeye Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(4-ethylphenyl)pyrrolidine-2-carboxamide CAS Name: 1-[6-(3-bromoanilino)-4-pyrimidinyl]-N-(4-ethylphenyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(4-ethylphenyl)pyrrolidine-2-carboxamide Traditional Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(4-ethylphenyl)pyrrolidine-2-carboxamide Formula: C23H24BrN5O MolecularWeight: 466.37356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CCCN2C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2CCCN2C3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H24BrN5O/c1-2-16-8-10-18(11-9-16)28-23(30)20-7-4-12-29(20)22-14-21(25-15-26-22)27-19-6-3-5-17(24)13-19/h3,5-6,8-11,13-15,20H,2,4,7,12H2,1H3,(H,28,30)(H,25,26,27)