4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[3-(2-ketoazepan-1-yl)propyl]benzamide Formula: C21H27ClN4O2 MolecularWeight: 402.91768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O2/c1-15-20(22)16(2)26(24-15)18-10-8-17(9-11-18)21(28)23-12-6-14-25-13-5-3-4-7-19(25)27/h8-11H,3-7,12-14H2,1-2H3,(H,23,28)