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

Systemtic Name: 4-[7-bromanyl-2-(4-methylphenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline Openeye Name: 4-[7-bromo-2-(p-tolyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline CAS Name: 4-[7-bromo-2-(4-methylphenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline IUPAC Name: 4-[7-bromo-2-(4-methylphenyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline Traditional Name: [4-[7-bromo-2-(p-tolyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]-dimethyl-amine Formula: C23H21BrN4 MolecularWeight: 433.34364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C23H21BrN4/c1-15-4-6-17(7-5-15)23-25-21-13-10-18(24)14-20(21)22(26-27-23)16-8-11-19(12-9-16)28(2)3/h4-14,26H,1-3H3