2-(5-bromanyl-2-fluoranyl-phenyl)-N-methoxy-N-methyl-4-(3-oxidanylpropyl)-4-phenyl-3H-pyrazole-5-carboxamide

Systemtic Name: 2-(5-bromanyl-2-fluoranyl-phenyl)-N-methoxy-N-methyl-4-(3-oxidanylpropyl)-4-phenyl-3H-pyrazole-5-carboxamide Openeye Name: 2-(5-bromo-2-fluoro-phenyl)-4-(3-hydroxypropyl)-N-methoxy-N-methyl-4-phenyl-3H-pyrazole-5-carboxamide CAS Name: 2-(5-bromo-2-fluorophenyl)-4-(3-hydroxypropyl)-N-methoxy-N-methyl-4-phenyl-3H-pyrazole-5-carboxamide IUPAC Name: 2-(5-bromo-2-fluorophenyl)-4-(3-hydroxypropyl)-N-methoxy-N-methyl-4-phenyl-3H-pyrazole-5-carboxamide Traditional Name: 1-(5-bromo-2-fluoro-phenyl)-4-(3-hydroxypropyl)-N-methoxy-N-methyl-4-phenyl-2-pyrazoline-3-carboxamide Formula: C21H23BrFN3O3 MolecularWeight: 464.328023

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=NN(CC1(CCCO)C2=CC=CC=C2)C3=C(C=CC(=C3)Br)F)OC

Isomeric SMILES

CN(C(=O)C1=NN(CC1(CCCO)C2=CC=CC=C2)C3=C(C=CC(=C3)Br)F)OC

InChI

InChI=1S/C21H23BrFN3O3/c1-25(29-2)20(28)19-21(11-6-12-27,15-7-4-3-5-8-15)14-26(24-19)18-13-16(22)9-10-17(18)23/h3-5,7-10,13,27H,6,11-12,14H2,1-2H3