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

Systemtic Name: 2-chloranyl-5-(5-methyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)-N-[(1-oxidanylcycloheptyl)methyl]benzamide Openeye Name: 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methyl-3-oxo-1H-1,2,4-triazol-2-yl)benzamide CAS Name: 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methyl-3-oxo-1H-1,2,4-triazol-2-yl)benzamide IUPAC Name: 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methyl-3-oxo-1H-1,2,4-triazol-2-yl)benzamide Traditional Name: 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(3-keto-5-methyl-1H-1,2,4-triazol-2-yl)benzamide Formula: C18H23ClN4O3 MolecularWeight: 378.85322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)N(N1)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCCC3)O

Isomeric SMILES

CC1=NC(=O)N(N1)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCCC3)O

InChI

InChI=1S/C18H23ClN4O3/c1-12-21-17(25)23(22-12)13-6-7-15(19)14(10-13)16(24)20-11-18(26)8-4-2-3-5-9-18/h6-7,10,26H,2-5,8-9,11H2,1H3,(H,20,24)(H,21,22,25)