3-bromanyl-N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-4-methoxy-benzamide Formula: C24H22BrClN4O2 MolecularWeight: 513.81408

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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=CC(=C(C=C4)OC)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C24H22BrClN4O2/c1-3-4-5-15-6-9-17(10-7-15)30-28-21-13-19(26)20(14-22(21)29-30)27-24(31)16-8-11-23(32-2)18(25)12-16/h6-14H,3-5H2,1-2H3,(H,27,31)