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

Systemtic Name: 5-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(p-tolyl)triazole-4-carboxamide CAS Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-N-piperonyl-1-(p-tolyl)triazole-4-carboxamide Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C18H17N5O3/c1-11-2-5-13(6-3-11)23-17(19)16(21-22-23)18(24)20-9-12-4-7-14-15(8-12)26-10-25-14/h2-8H,9-10,19H2,1H3,(H,20,24)