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

Systemtic Name: 3-[2,5-bis(chloranyl)phenyl]-1-(4-bromophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-bromophenyl)-3-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-bromophenyl)-3-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-bromophenyl)-3-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-bromophenyl)-3-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H16BrCl2N3 MolecularWeight: 437.16044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)Br)C4=C(C=CC(=C4)Cl)Cl)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)Br)C4=C(C=CC(=C4)Cl)Cl)C1

InChI

InChI=1S/C19H16BrCl2N3/c20-12-4-7-14(8-5-12)25-19-15(3-1-2-10-23-19)18(24-25)16-11-13(21)6-9-17(16)22/h4-9,11,24H,1-3,10H2