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

Systemtic Name: 5-methyl-1-[2-oxidanyl-3-(propan-2-ylamino)propyl]-2-phenyl-4-thiophen-2-ylcarbonyl-pyrazol-3-one Openeye Name: 1-[2-hydroxy-3-(isopropylamino)propyl]-5-methyl-2-phenyl-4-(thiophene-2-carbonyl)pyrazol-3-one CAS Name: 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-4-[oxo(thiophen-2-yl)methyl]-2-phenyl-3-pyrazolone IUPAC Name: 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-5-methyl-2-phenyl-4-(thiophene-2-carbonyl)pyrazol-3-one Traditional Name: 1-[2-hydroxy-3-(isopropylamino)propyl]-5-methyl-2-phenyl-4-(2-thenoyl)-3-pyrazolin-3-one Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-14(2)22-12-17(25)13-23-15(3)19(20(26)18-10-7-11-28-18)21(27)24(23)16-8-5-4-6-9-16/h4-11,14,17,22,25H,12-13H2,1-3H3