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

Systemtic Name: 1-(3-bromophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3-bromophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3-bromophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3-bromophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3-bromophenyl)-3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H20BrN3O MolecularWeight: 398.2963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3CCCCN=C3N(N2)C4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3CCCCN=C3N(N2)C4=CC(=CC=C4)Br

InChI

InChI=1S/C20H20BrN3O/c1-25-17-10-8-14(9-11-17)19-18-7-2-3-12-22-20(18)24(23-19)16-6-4-5-15(21)13-16/h4-6,8-11,13,23H,2-3,7,12H2,1H3