1-[3-(tert-butylamino)-2-oxidanyl-propyl]-5-methyl-2-phenyl-4-thiophen-2-ylcarbonyl-pyrazol-3-one

Systemtic Name: 1-[3-(tert-butylamino)-2-oxidanyl-propyl]-5-methyl-2-phenyl-4-thiophen-2-ylcarbonyl-pyrazol-3-one Openeye Name: 1-[3-(tert-butylamino)-2-hydroxy-propyl]-5-methyl-2-phenyl-4-(thiophene-2-carbonyl)pyrazol-3-one CAS Name: 1-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-4-[oxo(thiophen-2-yl)methyl]-2-phenyl-3-pyrazolone IUPAC Name: 1-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-2-phenyl-4-(thiophene-2-carbonyl)pyrazol-3-one Traditional Name: 1-[3-(tert-butylamino)-2-hydroxy-propyl]-5-methyl-2-phenyl-4-(2-thenoyl)-3-pyrazolin-3-one Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1CC(CNC(C)(C)C)O)C2=CC=CC=C2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=O)N(N1CC(CNC(C)(C)C)O)C2=CC=CC=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H27N3O3S/c1-15-19(20(27)18-11-8-12-29-18)21(28)25(16-9-6-5-7-10-16)24(15)14-17(26)13-23-22(2,3)4/h5-12,17,23,26H,13-14H2,1-4H3