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

Systemtic Name: 6-[(3-methoxyphenyl)methoxy]-1-(pyridin-2-ylmethyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Openeye Name: 6-[(3-methoxyphenyl)methoxy]-1-(2-pyridylmethyl)-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-2-one CAS Name: 6-[(3-methoxyphenyl)methoxy]-1-(2-pyridinylmethyl)-4-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-1,4-diazepan-2-one IUPAC Name: 6-[(3-methoxyphenyl)methoxy]-1-(pyridin-2-ylmethyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Traditional Name: 6-m-anisyloxy-1-(2-pyridylmethyl)-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-2-one Formula: C29H31N5O3 MolecularWeight: 497.58814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CC3=CC=CC=N3)CC4=CC=CN4C5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CC3=CC=CC=N3)CC4=CC=CN4C5=CN=CC=C5

InChI

InChI=1S/C29H31N5O3/c1-36-27-11-4-7-23(15-27)22-37-28-19-32(18-26-10-6-14-34(26)25-9-5-12-30-16-25)21-29(35)33(20-28)17-24-8-2-3-13-31-24/h2-16,28H,17-22H2,1H3