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

Systemtic Name: 2-[4-[[4-(aminomethyl)piperidin-1-yl]methyl]phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-[[4-(aminomethyl)-1-piperidyl]methyl]phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[[4-(aminomethyl)-1-piperidinyl]methyl]phenyl]-6-[2-(1-pyrazolyl)ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-[[4-(aminomethyl)piperidin-1-yl]methyl]phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-[[4-(aminomethyl)piperidino]methyl]phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CCN4C=CC=N4

Isomeric SMILES

C1CN(CCC1CN)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CCN4C=CC=N4

InChI

InChI=1S/C22H28N6O/c23-15-17-6-11-27(12-7-17)16-18-2-4-19(5-3-18)22-25-20(14-21(29)26-22)8-13-28-10-1-9-24-28/h1-5,9-10,14,17H,6-8,11-13,15-16,23H2,(H,25,26,29)