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

Systemtic Name: (2-methylphenyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: o-tolyl-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (2-methylphenyl)-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: o-tolyl-[4-(6-piperidinopyrimidin-4-yl)piperazino]methanone Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

InChI

InChI=1S/C21H27N5O/c1-17-7-3-4-8-18(17)21(27)26-13-11-25(12-14-26)20-15-19(22-16-23-20)24-9-5-2-6-10-24/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3