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

Systemtic Name: ethanedioic acid; 3-imidazol-1-yl-N-[[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl]propan-1-amine Openeye Name: N-[[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-propan-1-amine; oxalic acid CAS Name: 3-(1-imidazolyl)-N-[[3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-1-propanamine; oxalic acid IUPAC Name: N-[[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl]-3-imidazol-1-ylpropan-1-amine; oxalic acid Traditional Name: [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methyl-(3-imidazol-1-ylpropyl)amine; oxalic acid Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2CNCCCN3C=CN=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2CNCCCN3C=CN=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H27N5O.C2H2O4/c1-30-23-10-5-9-21(15-23)24-22(16-25-11-6-13-28-14-12-26-19-28)18-29(27-24)17-20-7-3-2-4-8-20;3-1(4)2(5)6/h2-5,7-10,12,14-15,18-19,25H,6,11,13,16-17H2,1H3;(H,3,4)(H,5,6)