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

Systemtic Name: ethanedioic acid; 3-[3-phenyl-4-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyrazol-1-yl]propanenitrile Openeye Name: oxalic acid; 3-[3-phenyl-4-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyrazol-1-yl]propanenitrile CAS Name: oxalic acid; 3-[3-phenyl-4-[[4-[2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methyl]-1-pyrazolyl]propanenitrile IUPAC Name: oxalic acid; 3-[3-phenyl-4-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyrazol-1-yl]propanenitrile Traditional Name: oxalic acid; 3-[3-phenyl-4-[[4-(2-pyrrolidinoethyl)piperazino]methyl]pyrazol-1-yl]propionitrile Formula: C25H34N6O4 MolecularWeight: 482.57526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2CCN(CC2)CC3=CN(N=C3C4=CC=CC=C4)CCC#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCN2CCN(CC2)CC3=CN(N=C3C4=CC=CC=C4)CCC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H32N6.C2H2O4/c24-9-6-12-29-20-22(23(25-29)21-7-2-1-3-8-21)19-28-17-15-27(16-18-28)14-13-26-10-4-5-11-26;3-1(4)2(5)6/h1-3,7-8,20H,4-6,10-19H2;(H,3,4)(H,5,6)