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

Systemtic Name: 5-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-ethylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-ethylphenyl)triazole-4-carboxamide CAS Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-ethylphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-ethylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(2-ethylphenyl)-N-piperonyl-triazole-4-carboxamide Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CCC1=CC=CC=C1N2C(=C(N=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C19H19N5O3/c1-2-13-5-3-4-6-14(13)24-18(20)17(22-23-24)19(25)21-10-12-7-8-15-16(9-12)27-11-26-15/h3-9H,2,10-11,20H2,1H3,(H,21,25)