N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-pyridin-4-yl-ethanamine; ethanedioic acid

Systemtic Name: N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-pyridin-4-yl-ethanamine; ethanedioic acid Openeye Name: N-[[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]methyl]-1-(4-pyridyl)ethanamine; oxalic acid CAS Name: N-[[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]methyl]-1-pyridin-4-ylethanamine; oxalic acid IUPAC Name: N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-pyridin-4-ylethanamine; oxalic acid Traditional Name: [1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]methyl-[1-(4-pyridyl)ethyl]amine; oxalic acid Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)CNC(C)C3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)CNC(C)C3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27N5.C2H2O4/c1-14(2)25-20(8-11-23-25)24-15(3)12-19(17(24)5)13-22-16(4)18-6-9-21-10-7-18;3-1(4)2(5)6/h6-12,14,16,22H,13H2,1-5H3;(H,3,4)(H,5,6)