1-[5-(2-methyl-1-oxidanyl-propan-2-yl)-2-(4-methylphenyl)pyrazol-3-yl]-3-(2-morpholin-4-ylethoxy)urea

Systemtic Name: 1-[5-(2-methyl-1-oxidanyl-propan-2-yl)-2-(4-methylphenyl)pyrazol-3-yl]-3-(2-morpholin-4-ylethoxy)urea Openeye Name: 1-[5-(2-hydroxy-1,1-dimethyl-ethyl)-2-(p-tolyl)pyrazol-3-yl]-3-(2-morpholinoethoxy)urea CAS Name: 1-[5-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylphenyl)-3-pyrazolyl]-3-[2-(4-morpholinyl)ethoxy]urea IUPAC Name: 1-[5-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylphenyl)pyrazol-3-yl]-3-(2-morpholin-4-ylethoxy)urea Traditional Name: 1-[5-(2-hydroxy-1,1-dimethyl-ethyl)-2-(p-tolyl)pyrazol-3-yl]-3-(2-morpholinoethoxy)urea Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)CO)NC(=O)NOCCN3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)CO)NC(=O)NOCCN3CCOCC3

InChI

InChI=1S/C21H31N5O4/c1-16-4-6-17(7-5-16)26-19(14-18(23-26)21(2,3)15-27)22-20(28)24-30-13-10-25-8-11-29-12-9-25/h4-7,14,27H,8-13,15H2,1-3H3,(H2,22,24,28)