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

Systemtic Name: 1-(4-phenylmethoxyphenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-benzyloxyphenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-phenylmethoxyphenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-phenylmethoxyphenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-benzoxyphenyl)-3-propyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C23H27N3O MolecularWeight: 361.47998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O/c1-2-8-22-21-11-6-7-16-24-23(21)26(25-22)19-12-14-20(15-13-19)27-17-18-9-4-3-5-10-18/h3-5,9-10,12-15,25H,2,6-8,11,16-17H2,1H3