N-(6-methyl-6-oxidanyl-heptan-2-yl)-1-(naphthalen-1-ylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(6-methyl-6-oxidanyl-heptan-2-yl)-1-(naphthalen-1-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(5-hydroxy-1,5-dimethyl-hexyl)-1-(1-naphthylmethyl)triazole-4-carboxamide CAS Name: N-(6-hydroxy-6-methylheptan-2-yl)-1-(1-naphthalenylmethyl)-4-triazolecarboxamide IUPAC Name: N-(6-hydroxy-6-methylheptan-2-yl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide Traditional Name: N-(5-hydroxy-1,5-dimethyl-hexyl)-1-(1-naphthylmethyl)triazole-4-carboxamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)NC(=O)C1=CN(N=N1)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(CCCC(C)(C)O)NC(=O)C1=CN(N=N1)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H28N4O2/c1-16(8-7-13-22(2,3)28)23-21(27)20-15-26(25-24-20)14-18-11-6-10-17-9-4-5-12-19(17)18/h4-6,9-12,15-16,28H,7-8,13-14H2,1-3H3,(H,23,27)