1-[4-[3-[[(4-methoxy-2,5-dimethyl-phenyl)methylamino]methyl]pyridin-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-[[(4-methoxy-2,5-dimethyl-phenyl)methylamino]methyl]pyridin-2-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[3-[[(4-methoxy-2,5-dimethyl-phenyl)methylamino]methyl]-2-pyridyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[3-[[(4-methoxy-2,5-dimethylphenyl)methylamino]methyl]-2-pyridinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-[[(4-methoxy-2,5-dimethylphenyl)methylamino]methyl]pyridin-2-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-[[(4-methoxy-2,5-dimethyl-benzyl)amino]methyl]-2-pyridyl]piperazino]ethanone Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CNCC2=C(N=CC=C2)N3CCN(CC3)C(=O)C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1CNCC2=C(N=CC=C2)N3CCN(CC3)C(=O)C)C)OC

InChI

InChI=1S/C22H30N4O2/c1-16-13-21(28-4)17(2)12-20(16)15-23-14-19-6-5-7-24-22(19)26-10-8-25(9-11-26)18(3)27/h5-7,12-13,23H,8-11,14-15H2,1-4H3