1-[[2,4-bis(fluoranyl)phenyl]methyl]-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]methyl]-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Openeye Name: 3-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine CAS Name: 3-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine IUPAC Name: 3-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Traditional Name: 3-(4-chlorophenyl)-1-(2,4-difluorobenzyl)-5,6,7,8-tetrahydro-4H-pyrazol[3,4-d]azepine Formula: C20H18ClF2N3 MolecularWeight: 373.826826

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C(=NN2CC3=C(C=C(C=C3)F)F)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CNCCC2=C1C(=NN2CC3=C(C=C(C=C3)F)F)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H18ClF2N3/c21-15-4-1-13(2-5-15)20-17-7-9-24-10-8-19(17)26(25-20)12-14-3-6-16(22)11-18(14)23/h1-6,11,24H,7-10,12H2