7-bromanyl-5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-bromanyl-5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C25H24BrN3O2 MolecularWeight: 478.38096

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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)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN3O2/c1-3-4-15-31-21-12-5-17(6-13-21)24-22-16-19(26)9-14-23(22)27-25(29-28-24)18-7-10-20(30-2)11-8-18/h5-14,16,28H,3-4,15H2,1-2H3