N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C25H23ClN4O3 MolecularWeight: 462.92812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H23ClN4O3/c1-2-3-4-16-5-8-18(9-6-16)30-28-21-14-19(26)20(15-22(21)29-30)27-25(31)17-7-10-23-24(13-17)33-12-11-32-23/h5-10,13-15H,2-4,11-12H2,1H3,(H,27,31)