6-(aminomethyl)-2-[3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(aminomethyl)-2-[3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(aminomethyl)-2-[3-[[4-(pyrazol-1-ylmethyl)-1-piperidyl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(aminomethyl)-2-[3-[[4-(1-pyrazolylmethyl)-1-piperidinyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(aminomethyl)-2-[3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(aminomethyl)-2-[3-[[4-(pyrazol-1-ylmethyl)piperidino]methyl]phenyl]-1H-pyrimidin-4-one Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C=CC=N2)CC3=CC=CC(=C3)C4=NC(=O)C=C(N4)CN

Isomeric SMILES

C1CN(CCC1CN2C=CC=N2)CC3=CC=CC(=C3)C4=NC(=O)C=C(N4)CN

InChI

InChI=1S/C21H26N6O/c22-13-19-12-20(28)25-21(24-19)18-4-1-3-17(11-18)14-26-9-5-16(6-10-26)15-27-8-2-7-23-27/h1-4,7-8,11-12,16H,5-6,9-10,13-15,22H2,(H,24,25,28)