1-[(1-methylpyrazol-4-yl)methyl]-4-(5-oxidanylidene-1-prop-2-enyl-pyrrolidin-3-yl)carbonyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(5-oxidanylidene-1-prop-2-enyl-pyrrolidin-3-yl)carbonyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(1-allyl-5-oxo-pyrrolidine-3-carbonyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-[oxo-(5-oxo-1-prop-2-enyl-3-pyrrolidinyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(1-allyl-5-keto-pyrrolidine-3-carbonyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C24H30N6O4 MolecularWeight: 466.5328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(CC2=O)C(=O)C3CC(=O)N(C3)CC=C)OCC4=CN=CC=C4

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)C(=O)C3CC(=O)N(C3)CC=C)OCC4=CN=CC=C4

InChI

InChI=1S/C24H30N6O4/c1-3-7-28-13-20(8-22(28)31)24(33)30-15-21(34-17-18-5-4-6-25-9-18)14-29(23(32)16-30)12-19-10-26-27(2)11-19/h3-6,9-11,20-21H,1,7-8,12-17H2,2H3