5-ethyl-1-(4-fluorophenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]pyrazole-4-carboxamide

Systemtic Name: 5-ethyl-1-(4-fluorophenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]pyrazole-4-carboxamide Openeye Name: 5-ethyl-1-(4-fluorophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]pyrazole-4-carboxamide CAS Name: 5-ethyl-1-(4-fluorophenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 5-ethyl-1-(4-fluorophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]pyrazole-4-carboxamide Traditional Name: 5-ethyl-1-(4-fluorophenyl)-N-[3-(2-ketoazepan-1-yl)propyl]pyrazole-4-carboxamide Formula: C21H27FN4O2 MolecularWeight: 386.463083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C21H27FN4O2/c1-2-19-18(15-24-26(19)17-10-8-16(22)9-11-17)21(28)23-12-6-14-25-13-5-3-4-7-20(25)27/h8-11,15H,2-7,12-14H2,1H3,(H,23,28)