2-chloranyl-N-[(1-oxidanylcycloheptyl)methyl]-5-(3-oxidanylidene-1H-1,2,4-triazol-2-yl)benzamide

Systemtic Name: 2-chloranyl-N-[(1-oxidanylcycloheptyl)methyl]-5-(3-oxidanylidene-1H-1,2,4-triazol-2-yl)benzamide Openeye Name: 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(3-oxo-1H-1,2,4-triazol-2-yl)benzamide CAS Name: 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(3-oxo-1H-1,2,4-triazol-2-yl)benzamide IUPAC Name: 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(3-oxo-1H-1,2,4-triazol-2-yl)benzamide Traditional Name: 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(3-keto-1H-1,2,4-triazol-2-yl)benzamide Formula: C17H21ClN4O3 MolecularWeight: 364.82664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CNC(=O)C2=C(C=CC(=C2)N3C(=O)N=CN3)Cl)O

Isomeric SMILES

C1CCCC(CC1)(CNC(=O)C2=C(C=CC(=C2)N3C(=O)N=CN3)Cl)O

InChI

InChI=1S/C17H21ClN4O3/c18-14-6-5-12(22-16(24)20-11-21-22)9-13(14)15(23)19-10-17(25)7-3-1-2-4-8-17/h5-6,9,11,25H,1-4,7-8,10H2,(H,19,23)(H,20,21,24)