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

Systemtic Name: 1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Openeye Name: 1-isobutyl-6-(3-pyridylmethoxy)-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-6-(3-pyridinylmethoxy)-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Traditional Name: 1-isobutyl-6-(3-pyridylmethoxy)-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-2-one Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)CC2=CC=CN2C3=CC=CC=N3)OCC4=CN=CC=C4

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)CC2=CC=CN2C3=CC=CC=N3)OCC4=CN=CC=C4

InChI

InChI=1S/C25H31N5O2/c1-20(2)14-29-17-23(32-19-21-7-5-10-26-13-21)16-28(18-25(29)31)15-22-8-6-12-30(22)24-9-3-4-11-27-24/h3-13,20,23H,14-19H2,1-2H3