ethanedioic acid; N-[[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-3-morpholin-4-yl-propan-1-amine

Systemtic Name: ethanedioic acid; N-[[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-3-morpholin-4-yl-propan-1-amine Openeye Name: N-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]-3-morpholino-propan-1-amine; oxalic acid CAS Name: N-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-4-pyrazolyl]methyl]-3-(4-morpholinyl)-1-propanamine; oxalic acid IUPAC Name: N-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine; oxalic acid Traditional Name: [5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-(3-morpholinopropyl)amine; oxalic acid Formula: C28H33FN4O10 MolecularWeight: 604.580823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNCCCN2CCOCC2)OC3=CC=C(C=C3)F)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NN(C(=C1CNCCCN2CCOCC2)OC3=CC=C(C=C3)F)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H29FN4O2.2C2H2O4/c1-19-23(18-26-12-5-13-28-14-16-30-17-15-28)24(31-22-10-8-20(25)9-11-22)29(27-19)21-6-3-2-4-7-21;2*3-1(4)2(5)6/h2-4,6-11,26H,5,12-18H2,1H3;2*(H,3,4)(H,5,6)