3-(5-bromanyl-2-methoxy-phenyl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(5-bromo-2-methoxyphenyl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C15H18BrN3O MolecularWeight: 336.22692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NCCCCC2=C(N1)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CN1C2=NCCCCC2=C(N1)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C15H18BrN3O/c1-19-15-11(5-3-4-8-17-15)14(18-19)12-9-10(16)6-7-13(12)20-2/h6-7,9,18H,3-5,8H2,1-2H3