3-[(1-methylpyrazol-4-yl)methylamino]azepan-2-one

Systemtic Name: 3-[(1-methylpyrazol-4-yl)methylamino]azepan-2-one Openeye Name: 3-[(1-methylpyrazol-4-yl)methylamino]azepan-2-one CAS Name: 3-[(1-methyl-4-pyrazolyl)methylamino]-2-azepanone IUPAC Name: 3-[(1-methylpyrazol-4-yl)methylamino]azepan-2-one Traditional Name: 3-[(1-methylpyrazol-4-yl)methylamino]azepan-2-one Formula: C11H18N4O MolecularWeight: 222.28682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2CCCCNC2=O

Isomeric SMILES

CN1C=C(C=N1)CNC2CCCCNC2=O

InChI

InChI=1S/C11H18N4O/c1-15-8-9(7-14-15)6-13-10-4-2-3-5-12-11(10)16/h7-8,10,13H,2-6H2,1H3,(H,12,16)