2-[4-(2-methylphenyl)carbonylpiperazin-1-yl]-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(2-methylphenyl)carbonylpiperazin-1-yl]-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-(2-methylbenzoyl)piperazin-1-yl]-6-(1-piperidylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-6-(1-piperidinylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-(2-methylbenzoyl)piperazin-1-yl]-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-o-toluoylpiperazino)-6-(piperidinomethyl)-1H-pyrimidin-4-one Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC(=O)C=C(N3)CN4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC(=O)C=C(N3)CN4CCCCC4

InChI

InChI=1S/C22H29N5O2/c1-17-7-3-4-8-19(17)21(29)26-11-13-27(14-12-26)22-23-18(15-20(28)24-22)16-25-9-5-2-6-10-25/h3-4,7-8,15H,2,5-6,9-14,16H2,1H3,(H,23,24,28)