2-methyl-6-[4-(phenylmethyl)-1-pyridin-3-ylcarbonyl-piperazin-2-yl]-1H-pyrimidin-4-one

Systemtic Name: 2-methyl-6-[4-(phenylmethyl)-1-pyridin-3-ylcarbonyl-piperazin-2-yl]-1H-pyrimidin-4-one Openeye Name: 6-[4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-2-methyl-1H-pyrimidin-4-one CAS Name: 2-methyl-6-[1-[oxo(3-pyridinyl)methyl]-4-(phenylmethyl)-2-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-2-methyl-1H-pyrimidin-4-one Traditional Name: 6-(4-benzyl-1-nicotinoyl-piperazin-2-yl)-2-methyl-1H-pyrimidin-4-one Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C=C(N1)C2CN(CCN2C(=O)C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=O)C=C(N1)C2CN(CCN2C(=O)C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2/c1-16-24-19(12-21(28)25-16)20-15-26(14-17-6-3-2-4-7-17)10-11-27(20)22(29)18-8-5-9-23-13-18/h2-9,12-13,20H,10-11,14-15H2,1H3,(H,24,25,28)