ethanedioic acid; 3-[3-phenyl-4-[(2-pyrrolidin-1-ylethylamino)methyl]pyrazol-1-yl]propanenitrile

Systemtic Name: ethanedioic acid; 3-[3-phenyl-4-[(2-pyrrolidin-1-ylethylamino)methyl]pyrazol-1-yl]propanenitrile Openeye Name: oxalic acid; 3-[3-phenyl-4-[(2-pyrrolidin-1-ylethylamino)methyl]pyrazol-1-yl]propanenitrile CAS Name: oxalic acid; 3-[3-phenyl-4-[[2-(1-pyrrolidinyl)ethylamino]methyl]-1-pyrazolyl]propanenitrile IUPAC Name: oxalic acid; 3-[3-phenyl-4-[(2-pyrrolidin-1-ylethylamino)methyl]pyrazol-1-yl]propanenitrile Traditional Name: oxalic acid; 3-[3-phenyl-4-[(2-pyrrolidinoethylamino)methyl]pyrazol-1-yl]propionitrile Formula: C23H29N5O8 MolecularWeight: 503.50506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNCC2=CN(N=C2C3=CC=CC=C3)CCC#N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCNCC2=CN(N=C2C3=CC=CC=C3)CCC#N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25N5.2C2H2O4/c20-9-6-13-24-16-18(15-21-10-14-23-11-4-5-12-23)19(22-24)17-7-2-1-3-8-17;2*3-1(4)2(5)6/h1-3,7-8,16,21H,4-6,10-15H2;2*(H,3,4)(H,5,6)