1-[2-[2-(1,3-benzodioxol-5-yl)ethanoylamino]ethyl]-N-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-[2-(1,3-benzodioxol-5-yl)ethanoylamino]ethyl]-N-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]ethyl]-N-phenyl-triazole-4-carboxamide CAS Name: 1-[2-[[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]amino]ethyl]-N-phenyl-4-triazolecarboxamide IUPAC Name: 1-[2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]ethyl]-N-phenyltriazole-4-carboxamide Traditional Name: 1-[2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]ethyl]-N-phenyl-triazole-4-carboxamide Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(=O)NCCN3C=C(N=N3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(=O)NCCN3C=C(N=N3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H19N5O4/c26-19(11-14-6-7-17-18(10-14)29-13-28-17)21-8-9-25-12-16(23-24-25)20(27)22-15-4-2-1-3-5-15/h1-7,10,12H,8-9,11,13H2,(H,21,26)(H,22,27)