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

Systemtic Name: 2-chloranyl-N-[cycloheptyl(oxidanyl)methyl]-5-(5-cyclopropyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)benzamide Openeye Name: 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(5-cyclopropyl-3-oxo-1H-1,2,4-triazol-2-yl)benzamide CAS Name: 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(5-cyclopropyl-3-oxo-1H-1,2,4-triazol-2-yl)benzamide IUPAC Name: 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(5-cyclopropyl-3-oxo-1H-1,2,4-triazol-2-yl)benzamide Traditional Name: 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(5-cyclopropyl-3-keto-1H-1,2,4-triazol-2-yl)benzamide Formula: C20H25ClN4O3 MolecularWeight: 404.8905

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(NC(=O)C2=C(C=CC(=C2)N3C(=O)N=C(N3)C4CC4)Cl)O

Isomeric SMILES

C1CCCC(CC1)C(NC(=O)C2=C(C=CC(=C2)N3C(=O)N=C(N3)C4CC4)Cl)O

InChI

InChI=1S/C20H25ClN4O3/c21-16-10-9-14(25-20(28)22-17(24-25)12-7-8-12)11-15(16)19(27)23-18(26)13-5-3-1-2-4-6-13/h9-13,18,26H,1-8H2,(H,23,27)(H,22,24,28)