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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)F)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)F)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

InChI

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