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

Systemtic Name: ethanedioic acid; 2-phenyl-N-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methyl]ethanamine Openeye Name: N-[[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methyl]-2-phenyl-ethanamine; oxalic acid CAS Name: oxalic acid; 2-phenyl-N-[[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]ethanamine IUPAC Name: N-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2-phenylethanamine; oxalic acid Traditional Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]methyl-phenethyl-amine; oxalic acid Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H23N3S.C2H2O4/c1-3-8-19(9-4-1)13-14-24-16-21-18-26(17-20-10-5-2-6-11-20)25-23(21)22-12-7-15-27-22;3-1(4)2(5)6/h1-12,15,18,24H,13-14,16-17H2;(H,3,4)(H,5,6)