7-bromanyl-5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-bromanyl-5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-5-(3,4-dimethoxyphenyl)-2-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C24H22BrN3O3 MolecularWeight: 480.35378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC(=C(C=C4)OC)OC

InChI

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