1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-[3-(morpholinomethyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[3-(4-morpholinylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-[3-(morpholinomethyl)phenyl]pyrazole-3-carboxamide Formula: C22H22FN5O5 MolecularWeight: 455.438983

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=CC=C2)NC(=O)C3=NN(C=C3)COC4=C(C=CC(=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CC2=CC(=CC=C2)NC(=O)C3=NN(C=C3)COC4=C(C=CC(=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H22FN5O5/c23-17-4-5-20(28(30)31)21(13-17)33-15-27-7-6-19(25-27)22(29)24-18-3-1-2-16(12-18)14-26-8-10-32-11-9-26/h1-7,12-13H,8-11,14-15H2,(H,24,29)