N-[3-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-1-ethyl-benzotriazole-5-carboxamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-1-ethyl-benzotriazole-5-carboxamide Openeye Name: N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-1-ethyl-benzotriazole-5-carboxamide CAS Name: N-[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]-1-ethyl-5-benzotriazolecarboxamide IUPAC Name: N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-1-ethylbenzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[3-(piperonyloylamino)phenyl]benzotriazole-5-carboxamide Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5)N=N1

InChI

InChI=1S/C23H19N5O4/c1-2-28-19-8-6-14(10-18(19)26-27-28)22(29)24-16-4-3-5-17(12-16)25-23(30)15-7-9-20-21(11-15)32-13-31-20/h3-12H,2,13H2,1H3,(H,24,29)(H,25,30)