N-(2-butan-2-ylphenyl)-3-(3-chloranyl-1,2,4-triazol-1-yl)adamantane-1-carboxamide

Systemtic Name: N-(2-butan-2-ylphenyl)-3-(3-chloranyl-1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(2-sec-butylphenyl)adamantane-1-carboxamide CAS Name: N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(2-butan-2-ylphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(2-sec-butylphenyl)adamantane-1-carboxamide Formula: C23H29ClN4O MolecularWeight: 412.95556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl

InChI

InChI=1S/C23H29ClN4O/c1-3-15(2)18-6-4-5-7-19(18)26-20(29)22-9-16-8-17(10-22)12-23(11-16,13-22)28-14-25-21(24)27-28/h4-7,14-17H,3,8-13H2,1-2H3,(H,26,29)