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

Systemtic Name: 7-bromanyl-5-(4-butoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-5-(4-butoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-5-(4-butoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-5-(4-butoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-5-(4-butoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine Formula: C24H22BrN3O MolecularWeight: 448.35498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrN3O/c1-2-3-15-29-20-12-9-17(10-13-20)23-21-16-19(25)11-14-22(21)26-24(28-27-23)18-7-5-4-6-8-18/h4-14,16,27H,2-3,15H2,1H3