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

Systemtic Name: 6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Openeye Name: 6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-2-one CAS Name: 6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-1,4-diazepan-2-one IUPAC Name: 6-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Traditional Name: 6-(cyclopropylmethoxy)-1-m-anisyl-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-2-one Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC(CN(CC2=O)CC3=CC=CN3C4=CC=CC=N4)OCC5CC5

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC(CN(CC2=O)CC3=CC=CN3C4=CC=CC=N4)OCC5CC5

InChI

InChI=1S/C27H32N4O3/c1-33-24-8-4-6-22(14-24)15-30-18-25(34-20-21-10-11-21)17-29(19-27(30)32)16-23-7-5-13-31(23)26-9-2-3-12-28-26/h2-9,12-14,21,25H,10-11,15-20H2,1H3