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

Systemtic Name: 3-(3-chloranyl-1,2,4-triazol-1-yl)-N-(2-ethoxyphenyl)adamantane-1-carboxamide Openeye Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(2-ethoxyphenyl)adamantane-1-carboxamide CAS Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(2-ethoxyphenyl)-1-adamantanecarboxamide IUPAC Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(2-ethoxyphenyl)adamantane-1-carboxamide Traditional Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-o-phenetyl-adamantane-1-carboxamide Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl

InChI

InChI=1S/C21H25ClN4O2/c1-2-28-17-6-4-3-5-16(17)24-18(27)20-8-14-7-15(9-20)11-21(10-14,12-20)26-13-23-19(22)25-26/h3-6,13-15H,2,7-12H2,1H3,(H,24,27)