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

Systemtic Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-[(1-methyl-4-pyrazolyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(CC2=O)CC3=C4C(=CC=C3)OCO4)OCC5=CC=NC=C5

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)CC3=C4C(=CC=C3)OCO4)OCC5=CC=NC=C5

InChI

InChI=1S/C24H27N5O4/c1-27-10-19(9-26-27)11-29-14-21(31-16-18-5-7-25-8-6-18)13-28(15-23(29)30)12-20-3-2-4-22-24(20)33-17-32-22/h2-10,21H,11-17H2,1H3