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

Systemtic Name: 5-methyl-1-[2-oxidanyl-3-(propylamino)propyl]-2-phenyl-4-thiophen-2-ylcarbonyl-pyrazol-3-one Openeye Name: 1-[2-hydroxy-3-(propylamino)propyl]-5-methyl-2-phenyl-4-(thiophene-2-carbonyl)pyrazol-3-one CAS Name: 1-[2-hydroxy-3-(propylamino)propyl]-5-methyl-4-[oxo(thiophen-2-yl)methyl]-2-phenyl-3-pyrazolone IUPAC Name: 1-[2-hydroxy-3-(propylamino)propyl]-5-methyl-2-phenyl-4-(thiophene-2-carbonyl)pyrazol-3-one Traditional Name: 1-[2-hydroxy-3-(propylamino)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:

CCCNCC(CN1C(=C(C(=O)N1C2=CC=CC=C2)C(=O)C3=CC=CS3)C)O

Isomeric SMILES

CCCNCC(CN1C(=C(C(=O)N1C2=CC=CC=C2)C(=O)C3=CC=CS3)C)O

InChI

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