[5-bromanyl-2-(2-methylpropoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [5-bromanyl-2-(2-methylpropoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: (5-bromo-2-isobutoxy-phenyl)-(4-phenylpiperazin-1-yl)methanone CAS Name: [5-bromo-2-(2-methylpropoxy)phenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [5-bromo-2-(2-methylpropoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: (5-bromo-2-isobutoxy-phenyl)-(4-phenylpiperazino)methanone Formula: C21H25BrN2O2 MolecularWeight: 417.3394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25BrN2O2/c1-16(2)15-26-20-9-8-17(22)14-19(20)21(25)24-12-10-23(11-13-24)18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3