2-(4-bromophenyl)-5-(4-butoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-5-(4-butoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-5-(4-butoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-5-(4-butoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-5-(4-butoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-5-(4-butoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Formula: C25H24BrN3O MolecularWeight: 462.38156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C25H24BrN3O/c1-3-4-15-30-21-12-8-18(9-13-21)24-22-16-17(2)5-14-23(22)27-25(29-28-24)19-6-10-20(26)11-7-19/h5-14,16,28H,3-4,15H2,1-2H3