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

Systemtic Name: 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-(1-piperidylmethyl)-2-[4-(p-tolylmethyl)piperazin-1-yl]-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-methylphenyl)methyl]-1-piperazinyl]-6-(1-piperidinylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-6-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-(4-methylbenzyl)piperazino]-6-(piperidinomethyl)-1H-pyrimidin-4-one Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C3=NC(=O)C=C(N3)CN4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C3=NC(=O)C=C(N3)CN4CCCCC4

InChI

InChI=1S/C22H31N5O/c1-18-5-7-19(8-6-18)16-26-11-13-27(14-12-26)22-23-20(15-21(28)24-22)17-25-9-3-2-4-10-25/h5-8,15H,2-4,9-14,16-17H2,1H3,(H,23,24,28)