1-(5-chloranyl-2-methoxy-phenyl)-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H19ClFN3O MolecularWeight: 371.835763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C3=NCCCCC3=C(N2)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C3=NCCCCC3=C(N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H19ClFN3O/c1-26-18-10-7-14(21)12-17(18)25-20-16(4-2-3-11-23-20)19(24-25)13-5-8-15(22)9-6-13/h5-10,12,24H,2-4,11H2,1H3