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

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-(3-methyl-5-oxidanylidene-1H-1,2,4-triazol-4-yl)benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-(5-keto-3-methyl-1H-1,2,4-triazol-4-yl)benzamide Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)N1C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NNC(=O)N1C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25ClN4O2/c1-12-24-25-20(28)26(12)16-2-3-18(22)17(7-16)19(27)23-11-21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,13-15H,4-6,8-11H2,1H3,(H,23,27)(H,25,28)