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

Systemtic Name: 5-ethyl-1-(4-methylphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]pyrazole-4-carboxamide Openeye Name: 5-ethyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-(p-tolyl)pyrazole-4-carboxamide CAS Name: 5-ethyl-1-(4-methylphenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 5-ethyl-1-(4-methylphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]pyrazole-4-carboxamide Traditional Name: 5-ethyl-N-[3-(2-ketoazepan-1-yl)propyl]-1-(p-tolyl)pyrazole-4-carboxamide Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2/c1-3-20-19(16-24-26(20)18-11-9-17(2)10-12-18)22(28)23-13-7-15-25-14-6-4-5-8-21(25)27/h9-12,16H,3-8,13-15H2,1-2H3,(H,23,28)