7-bromanyl-5-(3-methoxy-4-phenylmethoxy-phenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-bromanyl-5-(3-methoxy-4-phenylmethoxy-phenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-benzyloxy-3-methoxy-phenyl)-7-bromo-2-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-5-(3-methoxy-4-phenylmethoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-5-(3-methoxy-4-phenylmethoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-benzoxy-3-methoxy-phenyl)-7-bromo-2-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C27H21BrN4O2 MolecularWeight: 513.38524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)Br)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C27H21BrN4O2/c1-33-25-15-20(7-10-24(25)34-17-18-5-3-2-4-6-18)26-22-16-21(28)8-9-23(22)30-27(32-31-26)19-11-13-29-14-12-19/h2-16,31H,17H2,1H3