5-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide CAS Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(4-methoxyphenyl)-N-piperonyl-triazole-4-carboxamide Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C18H17N5O4/c1-25-13-5-3-12(4-6-13)23-17(19)16(21-22-23)18(24)20-9-11-2-7-14-15(8-11)27-10-26-14/h2-8H,9-10,19H2,1H3,(H,20,24)