5-chloranyl-N-[4-(4-fluoranylphenoxy)butyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-(4-fluoranylphenoxy)butyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-N-[4-(4-fluorophenoxy)butyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-[4-(4-fluorophenoxy)butyl]-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-[4-(4-fluorophenoxy)butyl]-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: 5-chloro-N-[4-(4-fluorophenoxy)butyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C21H21ClFN3O2 MolecularWeight: 401.861743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCCCOC2=CC=C(C=C2)F)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCCCOC2=CC=C(C=C2)F)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClFN3O2/c1-15-19(20(22)26(25-15)17-7-3-2-4-8-17)21(27)24-13-5-6-14-28-18-11-9-16(23)10-12-18/h2-4,7-12H,5-6,13-14H2,1H3,(H,24,27)