1-[4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)phenyl]hexan-1-one

Systemtic Name: 1-[4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)phenyl]hexan-1-one Openeye Name: 1-[4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)phenyl]hexan-1-one CAS Name: 1-[4-[(4-bromophenyl)methoxy]-3-[1-(1-imidazolyl)butyl]phenyl]-1-hexanone IUPAC Name: 1-[4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)phenyl]hexan-1-one Traditional Name: 1-[4-(4-bromobenzyl)oxy-3-(1-imidazol-1-ylbutyl)phenyl]hexan-1-one Formula: C26H31BrN2O2 MolecularWeight: 483.44054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)Br)C(CCC)N3C=CN=C3

Isomeric SMILES

CCCCCC(=O)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)Br)C(CCC)N3C=CN=C3

InChI

InChI=1S/C26H31BrN2O2/c1-3-5-6-8-25(30)21-11-14-26(31-18-20-9-12-22(27)13-10-20)23(17-21)24(7-4-2)29-16-15-28-19-29/h9-17,19,24H,3-8,18H2,1-2H3