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

Systemtic Name: ethanedioic acid; 2-morpholin-4-yl-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]ethanamine Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2-morpholino-ethanamine; oxalic acid CAS Name: 2-(4-morpholinyl)-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]ethanamine; oxalic acid IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine; oxalic acid Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)methyl-(2-morpholinoethyl)amine; oxalic acid Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1COCCN1CCNCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28N4O.C2H2O4/c1-3-7-20(8-4-1)18-27-19-22(23(25-27)21-9-5-2-6-10-21)17-24-11-12-26-13-15-28-16-14-26;3-1(4)2(5)6/h1-10,19,24H,11-18H2;(H,3,4)(H,5,6)