[1-(4-methylphenyl)carbonylpiperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(4-methylphenyl)carbonylpiperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(4-methylbenzoyl)-3-piperidyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [1-[(4-methylphenyl)-oxomethyl]-3-piperidinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-methylbenzoyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (1-p-toluoyl-3-piperidyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H27N5O2/c1-17-5-7-18(8-6-17)20(28)27-11-2-4-19(16-27)21(29)25-12-14-26(15-13-25)22-23-9-3-10-24-22/h3,5-10,19H,2,4,11-16H2,1H3