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

Systemtic Name: 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]-N-[3-(2-oxidanylideneazepan-1-yl)propyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[3-(2-oxo-1-azepanyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[3-(2-oxoazepan-1-yl)propyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-N-[3-(2-ketoazepan-1-yl)propyl]-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C22H29ClN4O2 MolecularWeight: 416.94426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCCCN3CCCCCC3=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCCCN3CCCCCC3=O)Cl

InChI

InChI=1S/C22H29ClN4O2/c1-16-8-10-18(11-9-16)15-27-21(23)20(17(2)25-27)22(29)24-12-6-14-26-13-5-3-4-7-19(26)28/h8-11H,3-7,12-15H2,1-2H3,(H,24,29)