2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-N-[3-(2-oxoazepan-1-yl)propyl]acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-oxo-N-[3-(2-oxo-1-azepanyl)propyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-(2-oxoazepan-1-yl)propyl]acetamide Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-N-[3-(2-ketoazepan-1-yl)propyl]acetamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-16-20(17(2)26(24-16)18-10-5-3-6-11-18)21(28)22(29)23-13-9-15-25-14-8-4-7-12-19(25)27/h3,5-6,10-11H,4,7-9,12-15H2,1-2H3,(H,23,29)