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

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-1-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-1-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(5-bromo-2-methoxyphenyl)-1-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-1-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-1-ethyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C16H20BrN3O MolecularWeight: 350.2535

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NCCCCC2=C(N1)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCN1C2=NCCCCC2=C(N1)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C16H20BrN3O/c1-3-20-16-12(6-4-5-9-18-16)15(19-20)13-10-11(17)7-8-14(13)21-2/h7-8,10,19H,3-6,9H2,1-2H3