5-(bromomethyl)-2-(4-fluorophenyl)-N-(phenylmethyl)-4-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: 5-(bromomethyl)-2-(4-fluorophenyl)-N-(phenylmethyl)-4-propan-2-yl-pyrazole-3-carboxamide Openeye Name: N-benzyl-5-(bromomethyl)-2-(4-fluorophenyl)-4-isopropyl-pyrazole-3-carboxamide CAS Name: 5-(bromomethyl)-2-(4-fluorophenyl)-N-(phenylmethyl)-4-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-benzyl-5-(bromomethyl)-2-(4-fluorophenyl)-4-propan-2-ylpyrazole-3-carboxamide Traditional Name: N-benzyl-5-(bromomethyl)-2-(4-fluorophenyl)-4-isopropyl-pyrazole-3-carboxamide Formula: C21H21BrFN3O MolecularWeight: 430.313343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(N=C1CBr)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(N(N=C1CBr)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H21BrFN3O/c1-14(2)19-18(12-22)25-26(17-10-8-16(23)9-11-17)20(19)21(27)24-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,24,27)