3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(3-chloranyl-2-methyl-phenyl)adamantane-1-carboxamide

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(3-chloranyl-2-methyl-phenyl)adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-2-methyl-phenyl)adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-2-methylphenyl)-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-2-methylphenyl)adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-2-methyl-phenyl)adamantane-1-carboxamide Formula: C20H22BrClN4O MolecularWeight: 449.77188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

InChI

InChI=1S/C20H22BrClN4O/c1-12-15(22)3-2-4-16(12)24-17(27)19-6-13-5-14(7-19)9-20(8-13,10-19)26-11-23-18(21)25-26/h2-4,11,13-14H,5-10H2,1H3,(H,24,27)