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

Systemtic Name: 3-ethyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-benzyloxyphenyl)-3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-ethyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-ethyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-benzoxyphenyl)-3-ethyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c1-2-21-20-10-6-7-15-23-22(20)25(24-21)18-11-13-19(14-12-18)26-16-17-8-4-3-5-9-17/h3-5,8-9,11-14,24H,2,6-7,10,15-16H2,1H3