N-[3-(benzotriazol-1-yl)propyl]-1-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[3-(benzotriazol-1-yl)propyl]-1-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-[3-(benzotriazol-1-yl)propyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide CAS Name: N-[3-(1-benzotriazolyl)propyl]-1-[(4-methoxyphenyl)methyl]-4-triazolecarboxamide IUPAC Name: N-[3-(benzotriazol-1-yl)propyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide Traditional Name: N-[3-(benzotriazol-1-yl)propyl]-1-p-anisyl-triazole-4-carboxamide Formula: C20H21N7O2 MolecularWeight: 391.42644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=C(N=N2)C(=O)NCCCN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=C(N=N2)C(=O)NCCCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H21N7O2/c1-29-16-9-7-15(8-10-16)13-26-14-18(23-24-26)20(28)21-11-4-12-27-19-6-3-2-5-17(19)22-25-27/h2-3,5-10,14H,4,11-13H2,1H3,(H,21,28)