2-(3-methylphenyl)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3-methylphenyl)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(m-tolyl)-1-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 2-(3-methylphenyl)-1-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-methylphenyl)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(m-tolyl)-1-[4-(6-piperidinopyrimidin-4-yl)piperazino]ethanone Formula: C22H29N5O MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

InChI

InChI=1S/C22H29N5O/c1-18-6-5-7-19(14-18)15-22(28)27-12-10-26(11-13-27)21-16-20(23-17-24-21)25-8-3-2-4-9-25/h5-7,14,16-17H,2-4,8-13,15H2,1H3