6-[(3-methoxyphenyl)methoxy]-1-(pyridin-2-ylmethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one

Systemtic Name: 6-[(3-methoxyphenyl)methoxy]-1-(pyridin-2-ylmethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Openeye Name: 6-[(3-methoxyphenyl)methoxy]-1-(2-pyridylmethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one CAS Name: 6-[(3-methoxyphenyl)methoxy]-1-(2-pyridinylmethyl)-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-1,4-diazepan-2-one IUPAC Name: 6-[(3-methoxyphenyl)methoxy]-1-(pyridin-2-ylmethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Traditional Name: 6-m-anisyloxy-1-(2-pyridylmethyl)-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-1,4-diazepan-2-one Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CC3=CC=CC=N3)CC4=CC=CN4C5=NC=CC=N5

Isomeric SMILES

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CC3=CC=CC=N3)CC4=CC=CN4C5=NC=CC=N5

InChI

InChI=1S/C28H30N6O3/c1-36-25-10-4-7-22(15-25)21-37-26-18-32(17-24-9-5-14-34(24)28-30-12-6-13-31-28)20-27(35)33(19-26)16-23-8-2-3-11-29-23/h2-15,26H,16-21H2,1H3