3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]azepan-2-one

Systemtic Name: 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]azepan-2-one Openeye Name: 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]azepan-2-one CAS Name: 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-azepanone IUPAC Name: 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]azepan-2-one Traditional Name: 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]azepan-2-one Formula: C12H20N4O MolecularWeight: 236.3134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CNC2CCCCNC2=O

Isomeric SMILES

CC1=C(C(=NN1)C)CNC2CCCCNC2=O

InChI

InChI=1S/C12H20N4O/c1-8-10(9(2)16-15-8)7-14-11-5-3-4-6-13-12(11)17/h11,14H,3-7H2,1-2H3,(H,13,17)(H,15,16)