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

Systemtic Name: N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5)C

InChI

InChI=1S/C21H26N4O/c1-14-3-4-18(15(2)5-14)24-19(26)20-7-16-6-17(8-20)10-21(9-16,11-20)25-13-22-12-23-25/h3-5,12-13,16-17H,6-11H2,1-2H3,(H,24,26)