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

Systemtic Name: 1-(4-phenylmethoxyphenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-benzyloxyphenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-phenylmethoxyphenyl)-3-(2-pyrazinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-phenylmethoxyphenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-benzoxyphenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C24H23N5O MolecularWeight: 397.47232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O/c1-2-6-18(7-3-1)17-30-20-11-9-19(10-12-20)29-24-21(8-4-5-13-27-24)23(28-29)22-16-25-14-15-26-22/h1-3,6-7,9-12,14-16,28H,4-5,8,13,17H2