N-(2-tert-butylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide

Systemtic Name: N-(2-tert-butylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-(2-tert-butylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(2-tert-butylphenyl)-3-(1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(2-tert-butylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(2-tert-butylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C23H30N4O MolecularWeight: 378.5105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O/c1-21(2,3)18-6-4-5-7-19(18)26-20(28)22-9-16-8-17(10-22)12-23(11-16,13-22)27-15-24-14-25-27/h4-7,14-17H,8-13H2,1-3H3,(H,26,28)