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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)NCCCN3CCCCCC3=O)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)NCCCN3CCCCCC3=O)C

InChI

InChI=1S/C21H28N4O2/c1-16-9-5-6-10-19(16)25-17(2)18(15-23-25)21(27)22-12-8-14-24-13-7-3-4-11-20(24)26/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3,(H,22,27)