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

Systemtic Name: 2-chloranyl-N-[cycloheptyl(oxidanyl)methyl]-5-(3-oxidanylidene-5-phenyl-1H-1,2,4-triazol-2-yl)benzamide Openeye Name: 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(3-oxo-5-phenyl-1H-1,2,4-triazol-2-yl)benzamide CAS Name: 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(3-oxo-5-phenyl-1H-1,2,4-triazol-2-yl)benzamide IUPAC Name: 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(3-oxo-5-phenyl-1H-1,2,4-triazol-2-yl)benzamide Traditional Name: 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(3-keto-5-phenyl-1H-1,2,4-triazol-2-yl)benzamide Formula: C23H25ClN4O3 MolecularWeight: 440.9226

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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)C4=CC=CC=C4)Cl)O

Isomeric SMILES

C1CCCC(CC1)C(NC(=O)C2=C(C=CC(=C2)N3C(=O)N=C(N3)C4=CC=CC=C4)Cl)O

InChI

InChI=1S/C23H25ClN4O3/c24-19-13-12-17(28-23(31)25-20(27-28)15-8-6-3-7-9-15)14-18(19)22(30)26-21(29)16-10-4-1-2-5-11-16/h3,6-9,12-14,16,21,29H,1-2,4-5,10-11H2,(H,26,30)(H,25,27,31)