5-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloranyl-4-methyl-phenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloranyl-4-methyl-phenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloro-4-methyl-phenyl)triazole-4-carboxamide CAS Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloro-4-methylphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloro-4-methylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(3-chloro-4-methyl-phenyl)-N-piperonyl-triazole-4-carboxamide Formula: C18H16ClN5O3 MolecularWeight: 385.80434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O3/c1-10-2-4-12(7-13(10)19)24-17(20)16(22-23-24)18(25)21-8-11-3-5-14-15(6-11)27-9-26-14/h2-7H,8-9,20H2,1H3,(H,21,25)