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

Systemtic Name: 2-chloranyl-N-[(1-oxidanylcycloheptyl)methyl]-5-(1H-pyrazol-5-yl)benzamide Openeye Name: 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1H-pyrazol-5-yl)benzamide CAS Name: 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1H-pyrazol-5-yl)benzamide IUPAC Name: 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1H-pyrazol-5-yl)benzamide Traditional Name: 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1H-pyrazol-5-yl)benzamide Formula: C18H22ClN3O2 MolecularWeight: 347.83918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CNC(=O)C2=C(C=CC(=C2)C3=CC=NN3)Cl)O

Isomeric SMILES

C1CCCC(CC1)(CNC(=O)C2=C(C=CC(=C2)C3=CC=NN3)Cl)O

InChI

InChI=1S/C18H22ClN3O2/c19-15-6-5-13(16-7-10-21-22-16)11-14(15)17(23)20-12-18(24)8-3-1-2-4-9-18/h5-7,10-11,24H,1-4,8-9,12H2,(H,20,23)(H,21,22)