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

Systemtic Name: 3-pentan-3-yl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-benzyloxyphenyl)-3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-pentan-3-yl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-pentan-3-yl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-benzoxyphenyl)-3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCC(CC)C1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O/c1-3-20(4-2)24-23-12-8-9-17-26-25(23)28(27-24)21-13-15-22(16-14-21)29-18-19-10-6-5-7-11-19/h5-7,10-11,13-16,20,27H,3-4,8-9,12,17-18H2,1-2H3