2-chloranyl-5-[1-(2-hydroxyethyl)-5-methyl-pyrazol-3-yl]-N-[(1-oxidanylcycloheptyl)methyl]benzamide

Systemtic Name: 2-chloranyl-5-[1-(2-hydroxyethyl)-5-methyl-pyrazol-3-yl]-N-[(1-oxidanylcycloheptyl)methyl]benzamide Openeye Name: 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[1-(2-hydroxyethyl)-5-methyl-pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[1-(2-hydroxyethyl)-5-methyl-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[1-(2-hydroxyethyl)-5-methyl-pyrazol-3-yl]benzamide Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCO)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCCC3)O

Isomeric SMILES

CC1=CC(=NN1CCO)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCCC3)O

InChI

InChI=1S/C21H28ClN3O3/c1-15-12-19(24-25(15)10-11-26)16-6-7-18(22)17(13-16)20(27)23-14-21(28)8-4-2-3-5-9-21/h6-7,12-13,26,28H,2-5,8-11,14H2,1H3,(H,23,27)