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

Systemtic Name: 2-chloranyl-N-[cycloheptyl(oxidanyl)methyl]-5-(3-oxidanylidene-5-pyridin-4-yl-1H-1,2,4-triazol-2-yl)benzamide Openeye Name: 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-oxo-5-(4-pyridyl)-1H-1,2,4-triazol-2-yl]benzamide CAS Name: 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(3-oxo-5-pyridin-4-yl-1H-1,2,4-triazol-2-yl)benzamide IUPAC Name: 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-(3-oxo-5-pyridin-4-yl-1H-1,2,4-triazol-2-yl)benzamide Traditional Name: 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-keto-5-(4-pyridyl)-1H-1,2,4-triazol-2-yl]benzamide Formula: C22H24ClN5O3 MolecularWeight: 441.91066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN5O3/c23-18-8-7-16(28-22(31)25-19(27-28)14-9-11-24-12-10-14)13-17(18)21(30)26-20(29)15-5-3-1-2-4-6-15/h7-13,15,20,29H,1-6H2,(H,26,30)(H,25,27,31)