1-[4-(2-methylpropyl)-3-oxidanylidene-6-(pyridin-3-ylmethoxy)-1,4-diazepan-1-yl]-4-phenyl-butane-1,4-dione

Systemtic Name: 1-[4-(2-methylpropyl)-3-oxidanylidene-6-(pyridin-3-ylmethoxy)-1,4-diazepan-1-yl]-4-phenyl-butane-1,4-dione Openeye Name: 1-[4-isobutyl-3-oxo-6-(3-pyridylmethoxy)-1,4-diazepan-1-yl]-4-phenyl-butane-1,4-dione CAS Name: 1-[4-(2-methylpropyl)-3-oxo-6-(3-pyridinylmethoxy)-1,4-diazepan-1-yl]-4-phenylbutane-1,4-dione IUPAC Name: 1-[4-(2-methylpropyl)-3-oxo-6-(pyridin-3-ylmethoxy)-1,4-diazepan-1-yl]-4-phenylbutane-1,4-dione Traditional Name: 1-[4-isobutyl-3-keto-6-(3-pyridylmethoxy)-1,4-diazepan-1-yl]-4-phenyl-butane-1,4-dione Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)C(=O)CCC(=O)C2=CC=CC=C2)OCC3=CN=CC=C3

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)C(=O)CCC(=O)C2=CC=CC=C2)OCC3=CN=CC=C3

InChI

InChI=1S/C25H31N3O4/c1-19(2)14-27-15-22(32-18-20-7-6-12-26-13-20)16-28(17-25(27)31)24(30)11-10-23(29)21-8-4-3-5-9-21/h3-9,12-13,19,22H,10-11,14-18H2,1-2H3