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

Systemtic Name: 3-(diphenylmethyl)-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-benzhydryl-1-(4-benzyloxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(diphenylmethyl)-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-benzhydryl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-benzhydryl-1-(4-benzoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C33H31N3O MolecularWeight: 485.61874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)OCC4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=C6)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)OCC4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=C6)C1

InChI

InChI=1S/C33H31N3O/c1-4-12-25(13-5-1)24-37-29-21-19-28(20-22-29)36-33-30(18-10-11-23-34-33)32(35-36)31(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,12-17,19-22,31,35H,10-11,18,23-24H2