2-chloranyl-5-[4-(2-cyanoethyl)-3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-N-[(1-oxidanylcycloheptyl)methyl]benzamide

Systemtic Name: 2-chloranyl-5-[4-(2-cyanoethyl)-3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-N-[(1-oxidanylcycloheptyl)methyl]benzamide Openeye Name: 2-chloro-5-[4-(2-cyanoethyl)-3,5-dioxo-1,2,4-triazin-2-yl]-N-[(1-hydroxycycloheptyl)methyl]benzamide CAS Name: 2-chloro-5-[4-(2-cyanoethyl)-3,5-dioxo-1,2,4-triazin-2-yl]-N-[(1-hydroxycycloheptyl)methyl]benzamide IUPAC Name: 2-chloro-5-[4-(2-cyanoethyl)-3,5-dioxo-1,2,4-triazin-2-yl]-N-[(1-hydroxycycloheptyl)methyl]benzamide Traditional Name: 2-chloro-5-[4-(2-cyanoethyl)-3,5-diketo-1,2,4-triazin-2-yl]-N-[(1-hydroxycycloheptyl)methyl]benzamide Formula: C21H24ClN5O4 MolecularWeight: 445.89936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CNC(=O)C2=C(C=CC(=C2)N3C(=O)N(C(=O)C=N3)CCC#N)Cl)O

Isomeric SMILES

C1CCCC(CC1)(CNC(=O)C2=C(C=CC(=C2)N3C(=O)N(C(=O)C=N3)CCC#N)Cl)O

InChI

InChI=1S/C21H24ClN5O4/c22-17-7-6-15(27-20(30)26(11-5-10-23)18(28)13-25-27)12-16(17)19(29)24-14-21(31)8-3-1-2-4-9-21/h6-7,12-13,31H,1-5,8-9,11,14H2,(H,24,29)