2-(2-methoxyphenyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 2-(2-methoxyphenyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 2-(2-methoxyphenyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 2-(2-methoxyphenyl)-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 2-(2-methoxyphenyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 2-(2-methoxyphenyl)-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CN(CC3=CC=CC=C3O2)CC4=CC=CN4C5=NC=CC=N5

Isomeric SMILES

COC1=CC=CC=C1C2CN(CC3=CC=CC=C3O2)CC4=CC=CN4C5=NC=CC=N5

InChI

InChI=1S/C25H24N4O2/c1-30-23-12-5-3-10-21(23)24-18-28(16-19-8-2-4-11-22(19)31-24)17-20-9-6-15-29(20)25-26-13-7-14-27-25/h2-15,24H,16-18H2,1H3