5-azanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylphenyl)methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylphenyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(p-tolylmethyl)triazole-4-carboxamide CAS Name: 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylphenyl)methyl]-4-triazolecarboxamide IUPAC Name: 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide Traditional Name: 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylbenzyl)triazole-4-carboxamide Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)N

InChI

InChI=1S/C19H19N5O3/c1-12-2-4-13(5-3-12)11-21-19(25)17-18(20)24(23-22-17)14-6-7-15-16(10-14)27-9-8-26-15/h2-7,10H,8-9,11,20H2,1H3,(H,21,25)