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

Systemtic Name: 4-[2-(4-bromophenyl)-7-ethoxy-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline Openeye Name: 4-[2-(4-bromophenyl)-7-ethoxy-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline CAS Name: 4-[2-(4-bromophenyl)-7-ethoxy-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline IUPAC Name: 4-[2-(4-bromophenyl)-7-ethoxy-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethylaniline Traditional Name: [4-[2-(4-bromophenyl)-7-ethoxy-4H-1,3,4-benzotriazepin-5-yl]phenyl]-dimethyl-amine Formula: C24H23BrN4O MolecularWeight: 463.36962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C24H23BrN4O/c1-4-30-20-13-14-22-21(15-20)23(16-7-11-19(12-8-16)29(2)3)27-28-24(26-22)17-5-9-18(25)10-6-17/h5-15,27H,4H2,1-3H3