4-(3-methylfuran-2-yl)carbonyl-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(3-methylfuran-2-yl)carbonyl-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(3-methylfuran-2-carbonyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(3-methyl-2-furanyl)-oxomethyl]-1-[(1-methyl-4-pyrazolyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(3-methylfuran-2-carbonyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(3-methyl-2-furoyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CN(N=C3)C)OCC4=CN=CC=C4

Isomeric SMILES

CC1=C(OC=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CN(N=C3)C)OCC4=CN=CC=C4

InChI

InChI=1S/C22H25N5O4/c1-16-5-7-30-21(16)22(29)27-13-19(31-15-17-4-3-6-23-8-17)12-26(20(28)14-27)11-18-9-24-25(2)10-18/h3-10,19H,11-15H2,1-2H3