N3-[(2S,3R)-1-[3,5-bis(fluoranyl)phenyl]-4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-butan-2-yl]-1-ethyl-N5,N5-dipropyl-pyrazole-3,5-dicarboxamide

Systemtic Name: N3-[(2S,3R)-1-[3,5-bis(fluoranyl)phenyl]-4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-butan-2-yl]-1-ethyl-N5,N5-dipropyl-pyrazole-3,5-dicarboxamide Openeye Name: N3-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-1-ethyl-N5,N5-dipropyl-pyrazole-3,5-dicarboxamide CAS Name: N3-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-1-ethyl-N5,N5-dipropylpyrazole-3,5-dicarboxamide IUPAC Name: 3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-1-ethyl-5-N,5-N-dipropylpyrazole-3,5-dicarboxamide Traditional Name: N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-(m-anisylamino)propyl]-1-ethyl-N',N'-dipropyl-pyrazole-3,5-dicarboxamide Formula: C31H41F2N5O4 MolecularWeight: 585.685146

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=NN1CC)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(CNCC3=CC(=CC=C3)OC)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=NN1CC)C(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)[C@@H](CNCC3=CC(=CC=C3)OC)O

InChI

InChI=1S/C31H41F2N5O4/c1-5-11-37(12-6-2)31(41)28-18-27(36-38(28)7-3)30(40)35-26(16-22-13-23(32)17-24(33)14-22)29(39)20-34-19-21-9-8-10-25(15-21)42-4/h8-10,13-15,17-18,26,29,34,39H,5-7,11-12,16,19-20H2,1-4H3,(H,35,40)/t26-,29+/m0/s1