1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-6-(3-pyridinylmethoxy)-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-1,4-diazepan-2-one IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-1,4-diazepan-2-one Formula: C25H28N8O2 MolecularWeight: 472.54222

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(CC2=O)CC3=CC=CN3C4=NC=CC=N4)OCC5=CN=CC=C5

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)CC3=CC=CN3C4=NC=CC=N4)OCC5=CN=CC=C5

InChI

InChI=1S/C25H28N8O2/c1-30-13-21(12-29-30)14-32-17-23(35-19-20-5-2-7-26-11-20)16-31(18-24(32)34)15-22-6-3-10-33(22)25-27-8-4-9-28-25/h2-13,23H,14-19H2,1H3