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

Systemtic Name: 2-(4-ethylphenyl)-7-fluoranyl-5-(3-methoxy-4-phenylmethoxy-phenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-benzyloxy-3-methoxy-phenyl)-2-(4-ethylphenyl)-7-fluoro-4H-1,3,4-benzotriazepine CAS Name: 2-(4-ethylphenyl)-7-fluoro-5-(3-methoxy-4-phenylmethoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-ethylphenyl)-7-fluoro-5-(3-methoxy-4-phenylmethoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-benzoxy-3-methoxy-phenyl)-2-(4-ethylphenyl)-7-fluoro-4H-1,3,4-benzotriazepine Formula: C30H26FN3O2 MolecularWeight: 479.544743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

Isomeric SMILES

CCC1=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/C30H26FN3O2/c1-3-20-9-11-22(12-10-20)30-32-26-15-14-24(31)18-25(26)29(33-34-30)23-13-16-27(28(17-23)35-2)36-19-21-7-5-4-6-8-21/h4-18,33H,3,19H2,1-2H3