3-(4-bromophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-bromophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-bromophenyl)-N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-bromophenyl)-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-bromophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-bromophenyl)-N-[4-(isopropylcarbamoylamino)benzyl]-1H-pyrazole-5-carboxamide Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN5O2/c1-13(2)24-21(29)25-17-9-3-14(4-10-17)12-23-20(28)19-11-18(26-27-19)15-5-7-16(22)8-6-15/h3-11,13H,12H2,1-2H3,(H,23,28)(H,26,27)(H2,24,25,29)