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

Systemtic Name: ethanedioic acid; 1-(furan-2-yl)-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]methanamine Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-1-(2-furyl)methanamine; oxalic acid CAS Name: 1-(2-furanyl)-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]methanamine; oxalic acid IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(furan-2-yl)methanamine; oxalic acid Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)methyl-(2-furfuryl)amine; oxalic acid Formula: C24H23N3O5 MolecularWeight: 433.45652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNCC4=CC=CO4.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNCC4=CC=CO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H21N3O.C2H2O4/c1-3-8-18(9-4-1)16-25-17-20(14-23-15-21-12-7-13-26-21)22(24-25)19-10-5-2-6-11-19;3-1(4)2(5)6/h1-13,17,23H,14-16H2;(H,3,4)(H,5,6)