5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methoxy-2-phenylmethoxy-phenyl)-4,5-dihydro-1H-pyrazol-4-ol

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methoxy-2-phenylmethoxy-phenyl)-4,5-dihydro-1H-pyrazol-4-ol Openeye Name: 3-(2-benzyloxy-4-methoxy-phenyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5-dihydro-1H-pyrazol-4-ol CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methoxy-2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-methoxy-2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol Traditional Name: 3-(2-benzoxy-4-methoxy-phenyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrazolin-4-ol Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NNC(C2O)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NNC(C2O)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H26N2O5/c1-30-19-9-10-20(22(15-19)33-16-17-6-3-2-4-7-17)25-26(29)24(27-28-25)18-8-11-21-23(14-18)32-13-5-12-31-21/h2-4,6-11,14-15,24,26-27,29H,5,12-13,16H2,1H3