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

Systemtic Name: 7-fluoranyl-5-(3-methoxy-4-phenylmethoxy-phenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-benzyloxy-3-methoxy-phenyl)-7-fluoro-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-fluoro-5-(3-methoxy-4-phenylmethoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-fluoro-5-(3-methoxy-4-phenylmethoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-benzoxy-3-methoxy-phenyl)-7-fluoro-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C26H20FN3O2S MolecularWeight: 457.519303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)F)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)F)OCC5=CC=CC=C5

InChI

InChI=1S/C26H20FN3O2S/c1-31-23-14-18(9-12-22(23)32-16-17-6-3-2-4-7-17)25-20-15-19(27)10-11-21(20)28-26(30-29-25)24-8-5-13-33-24/h2-15,29H,16H2,1H3