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

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]-3-(4-bromophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(4-bromophenyl)-1-(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=C(C=CC(=C3)Cl)Cl)C4=CC=C(C=C4)Br)C1

Isomeric SMILES

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

InChI

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