6-(aminomethyl)-2-[4-[(4-pyridin-4-yl-1,4-diazepan-1-yl)methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(aminomethyl)-2-[4-[(4-pyridin-4-yl-1,4-diazepan-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(aminomethyl)-2-[4-[[4-(4-pyridyl)-1,4-diazepan-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(aminomethyl)-2-[4-[(4-pyridin-4-yl-1,4-diazepan-1-yl)methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(aminomethyl)-2-[4-[(4-pyridin-4-yl-1,4-diazepan-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(aminomethyl)-2-[4-[[4-(4-pyridyl)-1,4-diazepan-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CC=NC=C2)CC3=CC=C(C=C3)C4=NC(=O)C=C(N4)CN

Isomeric SMILES

C1CN(CCN(C1)C2=CC=NC=C2)CC3=CC=C(C=C3)C4=NC(=O)C=C(N4)CN

InChI

InChI=1S/C22H26N6O/c23-15-19-14-21(29)26-22(25-19)18-4-2-17(3-5-18)16-27-10-1-11-28(13-12-27)20-6-8-24-9-7-20/h2-9,14H,1,10-13,15-16,23H2,(H,25,26,29)