3,5-dimethyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[3-(2-oxo-1-azepanyl)propyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3,5-dimethyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Formula: C21H28N4O2 MolecularWeight: 368.47262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C21H28N4O2/c1-16-20(17(2)25(23-16)18-10-5-3-6-11-18)21(27)22-13-9-15-24-14-8-4-7-12-19(24)26/h3,5-6,10-11H,4,7-9,12-15H2,1-2H3,(H,22,27)