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

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

CCCCNCC(CN1C(=C(C(=O)N1C2=CC=CC=C2)C(=O)CCC3=CC=CC=C3)C)O

Isomeric SMILES

CCCCNCC(CN1C(=C(C(=O)N1C2=CC=CC=C2)C(=O)CCC3=CC=CC=C3)C)O

InChI

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