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

Systemtic Name: 3-cyclopentyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-benzyloxyphenyl)-3-cyclopentyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-cyclopentyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-cyclopentyl-1-(4-phenylmethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-benzoxyphenyl)-3-cyclopentyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C25H29N3O MolecularWeight: 387.51726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)C2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H29N3O/c1-2-8-19(9-3-1)18-29-22-15-13-21(14-16-22)28-25-23(12-6-7-17-26-25)24(27-28)20-10-4-5-11-20/h1-3,8-9,13-16,20,27H,4-7,10-12,17-18H2