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

Systemtic Name: 3-(3-chloranyl-1,2,4-triazol-1-yl)-N-(4-dimethylaminophenyl)adamantane-1-carboxamide Openeye Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(4-dimethylaminophenyl)adamantane-1-carboxamide CAS Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(4-dimethylaminophenyl)-1-adamantanecarboxamide IUPAC Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(4-dimethylaminophenyl)adamantane-1-carboxamide Traditional Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(4-dimethylaminophenyl)adamantane-1-carboxamide Formula: C21H26ClN5O MolecularWeight: 399.91704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN5O/c1-26(2)17-5-3-16(4-6-17)24-18(28)20-8-14-7-15(9-20)11-21(10-14,12-20)27-13-23-19(22)25-27/h3-6,13-15H,7-12H2,1-2H3,(H,24,28)