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

Systemtic Name: N-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl]-3-morpholin-4-yl-propan-1-amine; ethanedioic acid Openeye Name: N-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl]-3-morpholino-propan-1-amine; oxalic acid CAS Name: N-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methyl]-3-(4-morpholinyl)-1-propanamine; oxalic acid IUPAC Name: N-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine; oxalic acid Traditional Name: [3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-(3-morpholinopropyl)amine; oxalic acid Formula: C27H30N4O6 MolecularWeight: 506.5503

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNCC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1COCCN1CCCNCC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H28N4O2.C2H2O4/c1-2-8-22(9-3-1)29-19-21(18-26-11-6-12-28-13-15-30-16-14-28)25(27-29)24-17-20-7-4-5-10-23(20)31-24;3-1(4)2(5)6/h1-5,7-10,17,19,26H,6,11-16,18H2;(H,3,4)(H,5,6)