N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2,5-dimethyl-3-pyrazolyl)methyl]-N-[(3S)-2-oxo-3-azepanyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-ketoazepan-3-yl]-piperonylamide Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CN(C2CCCCNC2=O)C(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=NN(C(=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H24N4O4/c1-13-9-15(23(2)22-13)11-24(16-5-3-4-8-21-19(16)25)20(26)14-6-7-17-18(10-14)28-12-27-17/h6-7,9-10,16H,3-5,8,11-12H2,1-2H3,(H,21,25)/t16-/m0/s1