1-(4-bromophenyl)-N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-5-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)-N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-[3-(cyclopropanecarbonylamino)benzyl]-5-methyl-pyrazole-4-carboxamide Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C22H21BrN4O2/c1-14-20(13-25-27(14)19-9-7-17(23)8-10-19)22(29)24-12-15-3-2-4-18(11-15)26-21(28)16-5-6-16/h2-4,7-11,13,16H,5-6,12H2,1H3,(H,24,29)(H,26,28)