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3-[4-bromanyl-2-[(cyclopropylamino)methyl]phenoxy]azepan-2-one

3-[4-bromanyl-2-[(cyclopropylamino)methyl]phenoxy]azepan-2-one

Systemtic Name:3-[4-bromanyl-2-[(cyclopropylamino)methyl]phenoxy]azepan-2-one
Openeye Name:3-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]azepan-2-one
CAS Name:3-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-2-azepanone
IUPAC Name:3-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]azepan-2-one
Traditional Name:3-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]azepan-2-one
Formula: C16H21BrN2O2
MolecularWeight: 353.25414
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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)Br)CNC3CC3


Isomeric SMILES

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)Br)CNC3CC3


InChI

InChI=1S/C16H21BrN2O2/c17-12-4-7-14(11(9-12)10-19-13-5-6-13)21-15-3-1-2-8-18-16(15)20/h4,7,9,13,15,19H,1-3,5-6,8,10H2,(H,18,20)


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