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

Systemtic Name: 1-(4-phenylmethoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-benzyloxyphenyl)-3-(4-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-phenylmethoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-phenylmethoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-benzoxyphenyl)-3-(4-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C25H24N4O MolecularWeight: 396.48426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O/c1-2-6-19(7-3-1)18-30-22-11-9-21(10-12-22)29-25-23(8-4-5-15-27-25)24(28-29)20-13-16-26-17-14-20/h1-3,6-7,9-14,16-17,28H,4-5,8,15,18H2