1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(2-oxidanylideneazepan-3-yl)pyrazole-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(2-oxidanylideneazepan-3-yl)pyrazole-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(2-oxoazepan-3-yl)pyrazole-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(2-oxo-3-azepanyl)-4-pyrazolecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(2-oxoazepan-3-yl)pyrazole-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-(2-ketoazepan-3-yl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C19H23ClN4O2 MolecularWeight: 374.86452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3CCCCNC3=O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3CCCCNC3=O

InChI

InChI=1S/C19H23ClN4O2/c1-12-17(19(26)22-16-9-5-6-10-21-18(16)25)13(2)24(23-12)11-14-7-3-4-8-15(14)20/h3-4,7-8,16H,5-6,9-11H2,1-2H3,(H,21,25)(H,22,26)