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

Systemtic Name: 7-bromanyl-2-(3,5-dimethoxyphenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-2-(3,5-dimethoxyphenyl)-5-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-2-(3,5-dimethoxyphenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-2-(3,5-dimethoxyphenyl)-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-2-(3,5-dimethoxyphenyl)-5-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C21H17BrN4O2 MolecularWeight: 437.28928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=NC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=NC=C4)OC

InChI

InChI=1S/C21H17BrN4O2/c1-27-16-9-14(10-17(12-16)28-2)21-24-19-4-3-15(22)11-18(19)20(25-26-21)13-5-7-23-8-6-13/h3-12,25H,1-2H3