2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]-1-[4-(m-tolyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-[4-(3-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)-methyl-amino]-1-[4-(m-tolyl)piperazino]ethanone Formula: C22H28BrN3O2 MolecularWeight: 446.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN(C)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN(C)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C22H28BrN3O2/c1-17-5-4-6-20(13-17)25-9-11-26(12-10-25)22(27)16-24(2)15-18-14-19(23)7-8-21(18)28-3/h4-8,13-14H,9-12,15-16H2,1-3H3