ethanedioic acid; N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]-3-propan-2-yloxy-propan-1-amine

Systemtic Name: ethanedioic acid; N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]-3-propan-2-yloxy-propan-1-amine Openeye Name: 3-isopropoxy-N-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]propan-1-amine; oxalic acid CAS Name: oxalic acid; N-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-3-propan-2-yloxy-1-propanamine IUPAC Name: oxalic acid; N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine Traditional Name: 3-isopropoxypropyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amine; oxalic acid Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNCC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)OCCCNCC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3OS.C2H2O4/c1-16(2)24-12-7-11-21-14-17-15-23(18-8-4-3-5-9-18)22-20(17)19-10-6-13-25-19;3-1(4)2(5)6/h3-6,8-10,13,15-16,21H,7,11-12,14H2,1-2H3;(H,3,4)(H,5,6)