7-bromanyl-2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-bromanyl-2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-2-(4-tert-butylphenyl)-5-(3,4-diethoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C28H30BrN3O2 MolecularWeight: 520.4607

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)C(C)(C)C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)C(C)(C)C)Br)OCC

InChI

InChI=1S/C28H30BrN3O2/c1-6-33-24-15-10-19(16-25(24)34-7-2)26-22-17-21(29)13-14-23(22)30-27(32-31-26)18-8-11-20(12-9-18)28(3,4)5/h8-17,31H,6-7H2,1-5H3