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

Systemtic Name: N-[3-(benzotriazol-1-yl)propyl]-1-[(2-methylphenyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-[3-(benzotriazol-1-yl)propyl]-1-(o-tolylmethyl)triazole-4-carboxamide CAS Name: N-[3-(1-benzotriazolyl)propyl]-1-[(2-methylphenyl)methyl]-4-triazolecarboxamide IUPAC Name: N-[3-(benzotriazol-1-yl)propyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide Traditional Name: N-[3-(benzotriazol-1-yl)propyl]-1-(2-methylbenzyl)triazole-4-carboxamide Formula: C20H21N7O MolecularWeight: 375.42704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)NCCCN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)NCCCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H21N7O/c1-15-7-2-3-8-16(15)13-26-14-18(23-24-26)20(28)21-11-6-12-27-19-10-5-4-9-17(19)22-25-27/h2-5,7-10,14H,6,11-13H2,1H3,(H,21,28)