ethanedioic acid; 1-(4-imidazol-1-ylphenyl)-N-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methyl]ethanamine

Systemtic Name: ethanedioic acid; 1-(4-imidazol-1-ylphenyl)-N-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methyl]ethanamine Openeye Name: N-[[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine; oxalic acid CAS Name: 1-[4-(1-imidazolyl)phenyl]-N-[[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methyl]ethanamine; oxalic acid IUPAC Name: N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine; oxalic acid Traditional Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyl-[1-(4-imidazol-1-ylphenyl)ethyl]amine; oxalic acid Formula: C29H28N6O4 MolecularWeight: 524.57042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NCC3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NCC3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H26N6.C2H2O4/c1-21(23-9-11-26(12-10-23)32-15-14-29-20-32)30-17-25-19-33(18-22-6-3-2-4-7-22)31-27(25)24-8-5-13-28-16-24;3-1(4)2(5)6/h2-16,19-21,30H,17-18H2,1H3;(H,3,4)(H,5,6)