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

Systemtic Name: 1-(4-phenylmethoxyphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-benzyloxyphenyl)-3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-phenylmethoxyphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-phenylmethoxyphenyl)-3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-benzoxyphenyl)-3-(2-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=CC=CS5)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CS5)C1

InChI

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