7-fluoranyl-2-(4-methoxyphenyl)-5-(3-methoxy-4-phenylmethoxy-phenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-fluoranyl-2-(4-methoxyphenyl)-5-(3-methoxy-4-phenylmethoxy-phenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-benzyloxy-3-methoxy-phenyl)-7-fluoro-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-fluoro-2-(4-methoxyphenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-fluoro-2-(4-methoxyphenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-benzoxy-3-methoxy-phenyl)-7-fluoro-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C29H24FN3O3 MolecularWeight: 481.517563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C29H24FN3O3/c1-34-23-12-8-20(9-13-23)29-31-25-14-11-22(30)17-24(25)28(32-33-29)21-10-15-26(27(16-21)35-2)36-18-19-6-4-3-5-7-19/h3-17,32H,18H2,1-2H3