3-(4-fluoranyl-3-methyl-phenyl)-2-pentan-3-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine

Systemtic Name: 3-(4-fluoranyl-3-methyl-phenyl)-2-pentan-3-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Openeye Name: 2-(1-ethylpropyl)-3-(4-fluoro-3-methyl-phenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine CAS Name: 3-(4-fluoro-3-methylphenyl)-2-pentan-3-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine IUPAC Name: 3-(4-fluoro-3-methylphenyl)-2-pentan-3-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Traditional Name: 2-(1-ethylpropyl)-3-(4-fluoro-3-methyl-phenyl)-5,6,7,8-tetrahydro-4H-pyrazol[3,4-d]azepine Formula: C19H26FN3 MolecularWeight: 315.428243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26FN3/c1-4-15(5-2)23-19(14-6-7-17(20)13(3)12-14)16-8-10-21-11-9-18(16)22-23/h6-7,12,15,21H,4-5,8-11H2,1-3H3