1-(2-methylpropyl)-6-phenylmethoxy-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one

Systemtic Name: 1-(2-methylpropyl)-6-phenylmethoxy-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-isobutyl-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-6-phenylmethoxy-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-6-phenylmethoxy-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-isobutyl-4-[[1-(2-pyrimidyl)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=NC=CC=N3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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