2-[4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-6-piperidin-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-6-piperidin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-6-(4-piperidyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-6-(4-piperidinyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-6-piperidin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-6-(4-piperidyl)-1H-pyrimidin-4-one Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3CCNCC3)CC4=CC=NN4

Isomeric SMILES

CN(CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3CCNCC3)CC4=CC=NN4

InChI

InChI=1S/C21H26N6O/c1-27(14-18-8-11-23-26-18)13-15-2-4-17(5-3-15)21-24-19(12-20(28)25-21)16-6-9-22-10-7-16/h2-5,8,11-12,16,22H,6-7,9-10,13-14H2,1H3,(H,23,26)(H,24,25,28)