N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-(p-tolylmethyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(4-methylbenzyl)-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)CNC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O/c1-15-2-4-16(5-3-15)11-23-19(26)20-7-17-6-18(8-20)10-21(9-17,12-20)25-14-22-13-24-25/h2-5,13-14,17-18H,6-12H2,1H3,(H,23,26)