N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]adamantane-1-carboxamide Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)CN5C=NC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)CN5C=NC=N5

InChI

InChI=1S/C21H26N4O/c26-20(21-8-17-5-18(9-21)7-19(6-17)10-21)23-11-15-1-3-16(4-2-15)12-25-14-22-13-24-25/h1-4,13-14,17-19H,5-12H2,(H,23,26)