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

Systemtic Name: 1-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrN3O2/c1-26-18-8-5-7-16(20(18)27-2)19-17-6-3-4-13-23-21(17)25(24-19)15-11-9-14(22)10-12-15/h5,7-12,24H,3-4,6,13H2,1-2H3