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

Systemtic Name: 3-naphthalen-1-yl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-benzyloxyphenyl)-3-(1-naphthyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(1-naphthalenyl)-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-naphthalen-1-yl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-benzoxyphenyl)-3-(1-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=CC=CC6=CC=CC=C65)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC6=CC=CC=C65)C1

InChI

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