ethanedioic acid; N-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-3-propan-2-yloxy-propan-1-amine

Systemtic Name: ethanedioic acid; N-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-3-propan-2-yloxy-propan-1-amine Openeye Name: N-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-3-isopropoxy-propan-1-amine; oxalic acid CAS Name: N-[[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]methyl]-3-propan-2-yloxy-1-propanamine; oxalic acid IUPAC Name: N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-propan-2-yloxypropan-1-amine; oxalic acid Traditional Name: [1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl-(3-isopropoxypropyl)amine; oxalic acid Formula: C20H28FN3O5 MolecularWeight: 409.451823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CNCCCOC(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CNCCCOC(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26FN3O.C2H2O4/c1-13(2)23-11-5-10-20-12-18-14(3)21-22(15(18)4)17-8-6-16(19)7-9-17;3-1(4)2(5)6/h6-9,13,20H,5,10-12H2,1-4H3;(H,3,4)(H,5,6)