azepan-1-yl-(3-bromanyl-4-phenethyloxy-phenyl)methanone

Systemtic Name: azepan-1-yl-(3-bromanyl-4-phenethyloxy-phenyl)methanone Openeye Name: azepan-1-yl-(3-bromo-4-phenethyloxy-phenyl)methanone CAS Name: 1-azepanyl-(3-bromo-4-phenethyloxyphenyl)methanone IUPAC Name: azepan-1-yl-(3-bromo-4-phenethyloxyphenyl)methanone Traditional Name: azepan-1-yl-(3-bromo-4-phenethyloxy-phenyl)methanone Formula: C21H24BrNO2 MolecularWeight: 402.32476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C21H24BrNO2/c22-19-16-18(21(24)23-13-6-1-2-7-14-23)10-11-20(19)25-15-12-17-8-4-3-5-9-17/h3-5,8-11,16H,1-2,6-7,12-15H2