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

Systemtic Name: 5-chloranyl-1-[(4-fluorophenyl)methyl]-3-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pyrazole-4-carboxamide CAS Name: 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[3-(2-oxo-1-azepanyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-1-(4-fluorobenzyl)-N-[3-(2-ketoazepan-1-yl)propyl]-3-methyl-pyrazole-4-carboxamide Formula: C21H26ClFN4O2 MolecularWeight: 420.908143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCCN2CCCCCC2=O)Cl)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCCN2CCCCCC2=O)Cl)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H26ClFN4O2/c1-15-19(20(22)27(25-15)14-16-7-9-17(23)10-8-16)21(29)24-11-5-13-26-12-4-2-3-6-18(26)28/h7-10H,2-6,11-14H2,1H3,(H,24,29)