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

Systemtic Name: 2-[4-chloranyl-3-(3-methylbutoxymethyl)phenyl]-3-phenyl-1,3-dihydro-1,2,4-triazole-5-carboxamide Openeye Name: 2-[4-chloro-3-(isopentyloxymethyl)phenyl]-3-phenyl-1,3-dihydro-1,2,4-triazole-5-carboxamide CAS Name: 2-[4-chloro-3-(3-methylbutoxymethyl)phenyl]-3-phenyl-1,3-dihydro-1,2,4-triazole-5-carboxamide IUPAC Name: 2-[4-chloro-3-(3-methylbutoxymethyl)phenyl]-3-phenyl-1,3-dihydro-1,2,4-triazole-5-carboxamide Traditional Name: 2-[4-chloro-3-(isoamoxymethyl)phenyl]-3-phenyl-1,3-dihydro-1,2,4-triazole-5-carboxamide Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O2/c1-14(2)10-11-28-13-16-12-17(8-9-18(16)22)26-21(15-6-4-3-5-7-15)24-20(25-26)19(23)27/h3-9,12,14,21H,10-11,13H2,1-2H3,(H2,23,27)(H,24,25)