4-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-8-ethyl-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-8-ethyl-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-8-ethyl-1H-1,3,5-benzotriazepine CAS Name: 4-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-8-ethyl-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-8-ethyl-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-8-ethyl-1H-1,3,5-benzotriazepine Formula: C24H22BrN3O2 MolecularWeight: 464.35438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H22BrN3O2/c1-4-15-5-11-19-20(13-15)27-24(17-8-12-21(29-2)22(14-17)30-3)28-23(26-19)16-6-9-18(25)10-7-16/h5-14H,4H2,1-3H3,(H,26,27,28)