3-(3-chloranyl-1,2,4-triazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]adamantane-1-carboxamide

Systemtic Name: 3-(3-chloranyl-1,2,4-triazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]adamantane-1-carboxamide Openeye Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]adamantane-1-carboxamide CAS Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-[1-(2-ethyl-3-pyrazolyl)ethyl]-1-adamantanecarboxamide IUPAC Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]adamantane-1-carboxamide Traditional Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]adamantane-1-carboxamide Formula: C20H27ClN6O MolecularWeight: 402.92098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C(C)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl

Isomeric SMILES

CCN1C(=CC=N1)C(C)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl

InChI

InChI=1S/C20H27ClN6O/c1-3-26-16(4-5-23-26)13(2)24-17(28)19-7-14-6-15(8-19)10-20(9-14,11-19)27-12-22-18(21)25-27/h4-5,12-15H,3,6-11H2,1-2H3,(H,24,28)