2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]-1-(4-phenylpiperazino)ethanone Formula: C26H36N4O3 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)CC(=O)N3CCN(CC3)C4=CC=CC=C4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)CC(=O)N3CCN(CC3)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C26H36N4O3/c1-21-17-24(32-2)25(33-3)18-22(21)19-27-9-11-28(12-10-27)20-26(31)30-15-13-29(14-16-30)23-7-5-4-6-8-23/h4-8,17-18H,9-16,19-20H2,1-3H3