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

Systemtic Name: 1-[3-(tert-butylamino)-2-oxidanyl-propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one Openeye Name: 1-[3-(tert-butylamino)-2-hydroxy-propyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one CAS Name: 1-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-4-(1-oxo-3-phenylpropyl)-2-phenyl-3-pyrazolone IUPAC Name: 1-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-2-phenyl-4-(3-phenylpropanoyl)pyrazol-3-one Traditional Name: 1-[3-(tert-butylamino)-2-hydroxy-propyl]-4-hydrocinnamoyl-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C26H33N3O3 MolecularWeight: 435.55852

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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)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1CC(CNC(C)(C)C)O)C2=CC=CC=C2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O3/c1-19-24(23(31)16-15-20-11-7-5-8-12-20)25(32)29(21-13-9-6-10-14-21)28(19)18-22(30)17-27-26(2,3)4/h5-14,22,27,30H,15-18H2,1-4H3