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

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-3-(1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(2-ethoxybenzyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5

InChI

InChI=1S/C22H28N4O2/c1-2-28-19-6-4-3-5-18(19)12-24-20(27)21-8-16-7-17(9-21)11-22(10-16,13-21)26-15-23-14-25-26/h3-6,14-17H,2,7-13H2,1H3,(H,24,27)