1-butyl-6-[imidazol-1-yl(phenyl)methyl]benzotriazole; ethanedioate

Systemtic Name: 1-butyl-6-[imidazol-1-yl(phenyl)methyl]benzotriazole; ethanedioate Openeye Name: 1-butyl-6-[imidazol-1-yl(phenyl)methyl]benzotriazole; oxalate CAS Name: 1-butyl-6-[1-imidazolyl(phenyl)methyl]benzotriazole; oxalate IUPAC Name: 1-butyl-6-[imidazol-1-yl(phenyl)methyl]benzotriazole; oxalate Traditional Name: 1-butyl-6-[imidazol-1-yl(phenyl)methyl]benzotriazole; oxalate Formula: C22H21N5O4-2 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)C(C3=CC=CC=C3)N4C=CN=C4)N=N1.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)C(C3=CC=CC=C3)N4C=CN=C4)N=N1.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C20H21N5.C2H2O4/c1-2-3-12-25-19-14-17(9-10-18(19)22-23-25)20(24-13-11-21-15-24)16-7-5-4-6-8-16;3-1(4)2(5)6/h4-11,13-15,20H,2-3,12H2,1H3;(H,3,4)(H,5,6)/p-2