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

Systemtic Name: 3-(3-chloranyl-1,2,4-triazol-1-yl)-N-(4-methylphenyl)adamantane-1-carboxamide Openeye Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(p-tolyl)adamantane-1-carboxamide CAS Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(4-methylphenyl)-1-adamantanecarboxamide IUPAC Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(4-methylphenyl)adamantane-1-carboxamide Traditional Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(p-tolyl)adamantane-1-carboxamide Formula: C20H23ClN4O MolecularWeight: 370.87582

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O/c1-13-2-4-16(5-3-13)23-17(26)19-7-14-6-15(8-19)10-20(9-14,11-19)25-12-22-18(21)24-25/h2-5,12,14-15H,6-11H2,1H3,(H,23,26)