2-(4-bromophenyl)-6-cyclobutyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine

Systemtic Name: 2-(4-bromophenyl)-6-cyclobutyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine Openeye Name: 2-(4-bromophenyl)-6-cyclobutyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine CAS Name: 2-(4-bromophenyl)-6-cyclobutyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine IUPAC Name: 2-(4-bromophenyl)-6-cyclobutyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine Traditional Name: 2-(4-bromophenyl)-6-cyclobutyl-4,5,7,8-tetrahydropyrazol[3,4-d]azepine Formula: C17H20BrN3 MolecularWeight: 346.2648

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCC3=CN(N=C3CC2)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(C1)N2CCC3=CN(N=C3CC2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C17H20BrN3/c18-14-4-6-16(7-5-14)21-12-13-8-10-20(15-2-1-3-15)11-9-17(13)19-21/h4-7,12,15H,1-3,8-11H2