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

Systemtic Name: 2-[3-(3-methylbutoxymethyl)phenyl]-3-phenyl-1,3-dihydro-1,2,4-triazole-5-carboxamide Openeye Name: 2-[3-(isopentyloxymethyl)phenyl]-3-phenyl-1,3-dihydro-1,2,4-triazole-5-carboxamide CAS Name: 2-[3-(3-methylbutoxymethyl)phenyl]-3-phenyl-1,3-dihydro-1,2,4-triazole-5-carboxamide IUPAC Name: 2-[3-(3-methylbutoxymethyl)phenyl]-3-phenyl-1,3-dihydro-1,2,4-triazole-5-carboxamide Traditional Name: 2-[3-(isoamoxymethyl)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)CCOCC1=CC(=CC=C1)N2C(N=C(N2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOCC1=CC(=CC=C1)N2C(N=C(N2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2/c1-15(2)11-12-27-14-16-7-6-10-18(13-16)25-21(17-8-4-3-5-9-17)23-20(24-25)19(22)26/h3-10,13,15,21H,11-12,14H2,1-2H3,(H2,22,26)(H,23,24)