ethanedioic acid; 2-morpholin-4-yl-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]ethanamine

Systemtic Name: ethanedioic acid; 2-morpholin-4-yl-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]ethanamine Openeye Name: 2-morpholino-N-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ethanamine; oxalic acid CAS Name: 2-(4-morpholinyl)-N-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]ethanamine; oxalic acid IUPAC Name: 2-morpholin-4-yl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]ethanamine; oxalic acid Traditional Name: 2-morpholinoethyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amine; oxalic acid Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNCC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1COCCN1CCNCC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N4OS.C2H2O4/c1-2-5-18(6-3-1)24-16-17(20(22-24)19-7-4-14-26-19)15-21-8-9-23-10-12-25-13-11-23;3-1(4)2(5)6/h1-7,14,16,21H,8-13,15H2;(H,3,4)(H,5,6)