N-butyl-2-(5-ethoxy-2-oxidanyl-phenyl)-6-(methylaminocarbamoyl)benzotriazole-5-carboxamide

Systemtic Name: N-butyl-2-(5-ethoxy-2-oxidanyl-phenyl)-6-(methylaminocarbamoyl)benzotriazole-5-carboxamide Openeye Name: N-butyl-2-(5-ethoxy-2-hydroxy-phenyl)-6-(methylaminocarbamoyl)benzotriazole-5-carboxamide CAS Name: N-butyl-2-(5-ethoxy-2-hydroxyphenyl)-6-[(methylhydrazo)-oxomethyl]-5-benzotriazolecarboxamide IUPAC Name: N-butyl-2-(5-ethoxy-2-hydroxyphenyl)-6-(methylaminocarbamoyl)benzotriazole-5-carboxamide Traditional Name: N-butyl-2-(5-ethoxy-2-hydroxy-phenyl)-6-(methylaminocarbamoyl)benzotriazole-5-carboxamide Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=NN(N=C2C=C1C(=O)NNC)C3=C(C=CC(=C3)OCC)O

Isomeric SMILES

CCCCNC(=O)C1=CC2=NN(N=C2C=C1C(=O)NNC)C3=C(C=CC(=C3)OCC)O

InChI

InChI=1S/C21H26N6O4/c1-4-6-9-23-20(29)14-11-16-17(12-15(14)21(30)24-22-3)26-27(25-16)18-10-13(31-5-2)7-8-19(18)28/h7-8,10-12,22,28H,4-6,9H2,1-3H3,(H,23,29)(H,24,30)