2-[3-(2,2-dimethylpropoxymethyl)phenyl]-3-phenyl-1,3-dihydro-1,2,4-triazole-5-carboxamide

Systemtic Name: 2-[3-(2,2-dimethylpropoxymethyl)phenyl]-3-phenyl-1,3-dihydro-1,2,4-triazole-5-carboxamide Openeye Name: 2-[3-(2,2-dimethylpropoxymethyl)phenyl]-3-phenyl-1,3-dihydro-1,2,4-triazole-5-carboxamide CAS Name: 2-[3-(2,2-dimethylpropoxymethyl)phenyl]-3-phenyl-1,3-dihydro-1,2,4-triazole-5-carboxamide IUPAC Name: 2-[3-(2,2-dimethylpropoxymethyl)phenyl]-3-phenyl-1,3-dihydro-1,2,4-triazole-5-carboxamide Traditional Name: 2-[3-(neopentyloxymethyl)phenyl]-3-phenyl-1,3-dihydro-1,2,4-triazole-5-carboxamide Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COCC1=CC(=CC=C1)N2C(N=C(N2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)COCC1=CC(=CC=C1)N2C(N=C(N2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2/c1-21(2,3)14-27-13-15-8-7-11-17(12-15)25-20(16-9-5-4-6-10-16)23-19(24-25)18(22)26/h4-12,20H,13-14H2,1-3H3,(H2,22,26)(H,23,24)