N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-yl-propan-1-amine; ethanedioic acid

Systemtic Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-yl-propan-1-amine; ethanedioic acid Openeye Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-morpholino-propan-1-amine; oxalic acid CAS Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-(4-morpholinyl)-1-propanamine; oxalic acid IUPAC Name: N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine; oxalic acid Traditional Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-(3-morpholinopropyl)amine; oxalic acid Formula: C21H27ClN4O9 MolecularWeight: 514.91348

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNCC2=C(NN=C2)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1COCCN1CCCNCC2=C(NN=C2)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23ClN4O.2C2H2O4/c18-16-4-2-14(3-5-16)17-15(13-20-21-17)12-19-6-1-7-22-8-10-23-11-9-22;2*3-1(4)2(5)6/h2-5,13,19H,1,6-12H2,(H,20,21);2*(H,3,4)(H,5,6)