3-[(2,4-dimethylphenyl)methyl-methyl-amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(2,4-dimethylphenyl)methyl-methyl-amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(2,4-dimethylphenyl)methyl-methyl-amino]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(2,4-dimethylphenyl)methyl-methylamino]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2,4-dimethylphenyl)methyl-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(2,4-dimethylbenzyl)-methyl-amino]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C22H30N4O MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)CCC(=O)N2CCN(CC2)C3=CC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)CCC(=O)N2CCN(CC2)C3=CC=CC=N3)C

InChI

InChI=1S/C22H30N4O/c1-18-7-8-20(19(2)16-18)17-24(3)11-9-22(27)26-14-12-25(13-15-26)21-6-4-5-10-23-21/h4-8,10,16H,9,11-15,17H2,1-3H3