[1-(2-methylphenyl)carbonylpiperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(2-methylphenyl)carbonylpiperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(2-methylbenzoyl)-4-piperidyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [1-[(2-methylphenyl)-oxomethyl]-4-piperidinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (1-o-toluoyl-4-piperidyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H27N5O2/c1-17-5-2-3-6-19(17)21(29)25-11-7-18(8-12-25)20(28)26-13-15-27(16-14-26)22-23-9-4-10-24-22/h2-6,9-10,18H,7-8,11-16H2,1H3