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

Systemtic Name: 3-naphthalen-2-yl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-benzyloxyphenyl)-3-(2-naphthyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2-naphthalenyl)-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-naphthalen-2-yl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-benzoxyphenyl)-3-(2-naphthyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C30H27N3O MolecularWeight: 445.55488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC6=CC=CC=C6C=C5)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC6=CC=CC=C6C=C5)C1

InChI

InChI=1S/C30H27N3O/c1-2-8-22(9-3-1)21-34-27-17-15-26(16-18-27)33-30-28(12-6-7-19-31-30)29(32-33)25-14-13-23-10-4-5-11-24(23)20-25/h1-5,8-11,13-18,20,32H,6-7,12,19,21H2