N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]-1-phenyl-triazole-4-carboxamide CAS Name: N-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]-1-phenyl-4-triazolecarboxamide IUPAC Name: N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-phenyltriazole-4-carboxamide Traditional Name: N-[2-(2,2-dimethylcoumaran-7-yl)oxyethyl]-1-phenyl-triazole-4-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCCNC(=O)C3=CN(N=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCCNC(=O)C3=CN(N=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H22N4O3/c1-21(2)13-15-7-6-10-18(19(15)28-21)27-12-11-22-20(26)17-14-25(24-23-17)16-8-4-3-5-9-16/h3-10,14H,11-13H2,1-2H3,(H,22,26)