2-[(3-bromophenyl)carbamoyl-butyl-amino]-N-[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]ethanamide

Systemtic Name: 2-[(3-bromophenyl)carbamoyl-butyl-amino]-N-[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]ethanamide Openeye Name: 2-[(3-bromophenyl)carbamoyl-butyl-amino]-N-[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]acetamide CAS Name: 2-[[(3-bromoanilino)-oxomethyl]-butylamino]-N-[2-(4-fluorophenyl)-5-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-[(3-bromophenyl)carbamoyl-butylamino]-N-[2-(4-fluorophenyl)-5-phenylpyrazol-3-yl]acetamide Traditional Name: 2-[(3-bromophenyl)carbamoyl-butyl-amino]-N-[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]acetamide Formula: C28H27BrFN5O2 MolecularWeight: 564.448683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

CCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C28H27BrFN5O2/c1-2-3-16-34(28(37)31-23-11-7-10-21(29)17-23)19-27(36)32-26-18-25(20-8-5-4-6-9-20)33-35(26)24-14-12-22(30)13-15-24/h4-15,17-18H,2-3,16,19H2,1H3,(H,31,37)(H,32,36)