ethanedioic acid; 3-imidazol-1-yl-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]propan-1-amine

Systemtic Name: ethanedioic acid; 3-imidazol-1-yl-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]propan-1-amine Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-3-imidazol-1-yl-propan-1-amine; oxalic acid CAS Name: 3-(1-imidazolyl)-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-1-propanamine; oxalic acid IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine; oxalic acid Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)methyl-(3-imidazol-1-ylpropyl)amine; oxalic acid Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNCCCN4C=CN=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNCCCN4C=CN=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H25N5.C2H2O4/c1-3-8-20(9-4-1)17-28-18-22(23(26-28)21-10-5-2-6-11-21)16-24-12-7-14-27-15-13-25-19-27;3-1(4)2(5)6/h1-6,8-11,13,15,18-19,24H,7,12,14,16-17H2;(H,3,4)(H,5,6)