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

Systemtic Name: 3-cyclohexyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-benzyloxyphenyl)-3-cyclohexyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-cyclohexyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-cyclohexyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-benzoxyphenyl)-3-cyclohexyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C26H31N3O MolecularWeight: 401.54384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H31N3O/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/h1,3-4,9-10,14-17,21,28H,2,5-8,11-13,18-19H2