2-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine Formula: C24H22BrN3O3 MolecularWeight: 480.35378

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrN3O3/c1-4-31-18-10-11-20-19(14-18)23(16-7-12-21(29-2)22(13-16)30-3)27-28-24(26-20)15-5-8-17(25)9-6-15/h5-14,27H,4H2,1-3H3