3-phenyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-phenyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-benzyloxyphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-phenyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-phenyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-benzoxyphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C26H25N3O MolecularWeight: 395.4962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)C1

InChI

InChI=1S/C26H25N3O/c1-3-9-20(10-4-1)19-30-23-16-14-22(15-17-23)29-26-24(13-7-8-18-27-26)25(28-29)21-11-5-2-6-12-21/h1-6,9-12,14-17,28H,7-8,13,18-19H2