[3-bromanyl-4-(2-methylpropoxy)phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [3-bromanyl-4-(2-methylpropoxy)phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(3-bromo-4-isobutoxy-phenyl)methanone CAS Name: [3-bromo-4-(2-methylpropoxy)phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[3-bromo-4-(2-methylpropoxy)phenyl]methanone Traditional Name: (4-benzylpiperazino)-(3-bromo-4-isobutoxy-phenyl)methanone Formula: C22H27BrN2O2 MolecularWeight: 431.36598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C22H27BrN2O2/c1-17(2)16-27-21-9-8-19(14-20(21)23)22(26)25-12-10-24(11-13-25)15-18-6-4-3-5-7-18/h3-9,14,17H,10-13,15-16H2,1-2H3