3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-oxidanylideneazepan-3-yl)propanamide

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-oxidanylideneazepan-3-yl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-oxoazepan-3-yl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(2-oxo-3-azepanyl)propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-oxoazepan-3-yl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-ketoazepan-3-yl)propionamide Formula: C17H25N5O2 MolecularWeight: 331.4127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2CCCCNC2=O

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2CCCCNC2=O

InChI

InChI=1S/C17H25N5O2/c1-12-14(13(2)22(21-12)11-5-9-18)7-8-16(23)20-15-6-3-4-10-19-17(15)24/h15H,3-8,10-11H2,1-2H3,(H,19,24)(H,20,23)