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

Systemtic Name: 3-[2,3-bis(chloranyl)phenyl]-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-benzyloxyphenyl)-3-(2,3-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2,3-dichlorophenyl)-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(2,3-dichlorophenyl)-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-benzoxyphenyl)-3-(2,3-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C26H23Cl2N3O MolecularWeight: 464.38632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23Cl2N3O/c27-23-11-6-10-21(24(23)28)25-22-9-4-5-16-29-26(22)31(30-25)19-12-14-20(15-13-19)32-17-18-7-2-1-3-8-18/h1-3,6-8,10-15,30H,4-5,9,16-17H2