1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[3-(2-oxidanylideneazepan-1-yl)propyl]urea

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[3-(2-oxidanylideneazepan-1-yl)propyl]urea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[3-(2-oxoazepan-1-yl)propyl]urea CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-[3-(2-oxo-1-azepanyl)propyl]urea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[3-(2-oxoazepan-1-yl)propyl]urea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[3-(2-ketoazepan-1-yl)propyl]urea Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C22H31N5O2/c1-17-20(18(2)27(25-17)19-10-5-3-6-11-19)16-24-22(29)23-13-9-15-26-14-8-4-7-12-21(26)28/h3,5-6,10-11H,4,7-9,12-16H2,1-2H3,(H2,23,24,29)