4-[7-bromanyl-2-(4-tert-butylphenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline

Systemtic Name: 4-[7-bromanyl-2-(4-tert-butylphenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline Openeye Name: 4-[7-bromo-2-(4-tert-butylphenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline CAS Name: 4-[7-bromo-2-(4-tert-butylphenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline IUPAC Name: 4-[7-bromo-2-(4-tert-butylphenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline Traditional Name: [4-[7-bromo-2-(4-tert-butylphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]-dimethyl-amine Formula: C26H27BrN4 MolecularWeight: 475.42338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C26H27BrN4/c1-26(2,3)19-10-6-18(7-11-19)25-28-23-15-12-20(27)16-22(23)24(29-30-25)17-8-13-21(14-9-17)31(4)5/h6-16,29H,1-5H3