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

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(3-chloranyl-4-methoxy-phenyl)adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-methoxy-phenyl)adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-methoxyphenyl)-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-methoxyphenyl)adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3-chloro-4-methoxy-phenyl)adamantane-1-carboxamide Formula: C20H22BrClN4O2 MolecularWeight: 465.77128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br)Cl

InChI

InChI=1S/C20H22BrClN4O2/c1-28-16-3-2-14(5-15(16)22)24-17(27)19-6-12-4-13(7-19)9-20(8-12,10-19)26-11-23-18(21)25-26/h2-3,5,11-13H,4,6-10H2,1H3,(H,24,27)