2-butan-2-yl-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine

Systemtic Name: 2-butan-2-yl-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Openeye Name: 3-(4-fluorophenyl)-2-sec-butyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine CAS Name: 2-butan-2-yl-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine IUPAC Name: 2-butan-2-yl-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Traditional Name: 3-(4-fluorophenyl)-2-sec-butyl-5,6,7,8-tetrahydro-4H-pyrazol[3,4-d]azepine Formula: C17H22FN3 MolecularWeight: 287.375083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C2CCNCCC2=N1)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(C)N1C(=C2CCNCCC2=N1)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H22FN3/c1-3-12(2)21-17(13-4-6-14(18)7-5-13)15-8-10-19-11-9-16(15)20-21/h4-7,12,19H,3,8-11H2,1-2H3