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

Systemtic Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]furan-2-carboxamide Openeye Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxoazepan-3-yl]furan-2-carboxamide CAS Name: N-[(2,5-dimethyl-3-pyrazolyl)methyl]-N-[(3S)-2-oxo-3-azepanyl]-2-furancarboxamide IUPAC Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxoazepan-3-yl]furan-2-carboxamide Traditional Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-ketoazepan-3-yl]-2-furamide Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CN(C2CCCCNC2=O)C(=O)C3=CC=CO3)C

Isomeric SMILES

CC1=NN(C(=C1)CN([C@H]2CCCCNC2=O)C(=O)C3=CC=CO3)C

InChI

InChI=1S/C17H22N4O3/c1-12-10-13(20(2)19-12)11-21(17(23)15-7-5-9-24-15)14-6-3-4-8-18-16(14)22/h5,7,9-10,14H,3-4,6,8,11H2,1-2H3,(H,18,22)/t14-/m0/s1