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

Systemtic Name: 1-(4-phenylmethoxyphenyl)-3-thiophen-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-benzyloxyphenyl)-3-(3-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-phenylmethoxyphenyl)-3-(3-thiophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-phenylmethoxyphenyl)-3-thiophen-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-benzoxyphenyl)-3-(3-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C24H23N3OS MolecularWeight: 401.52392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3OS/c1-2-6-18(7-3-1)16-28-21-11-9-20(10-12-21)27-24-22(8-4-5-14-25-24)23(26-27)19-13-15-29-17-19/h1-3,6-7,9-13,15,17,26H,4-5,8,14,16H2