3-(3-bromanyl-4-methoxy-phenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-1-[4-(m-tolylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3-bromo-4-methoxyphenyl)-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-1-[4-(3-methylbenzyl)piperazino]propan-1-one Formula: C22H27BrN2O2 MolecularWeight: 431.36598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OC)Br

InChI

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