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

Systemtic Name: ethanedioic acid; 3-[4-[(phenethylamino)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: oxalic acid; 3-[4-[(phenethylamino)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: oxalic acid; 3-[4-[(phenethylamino)methyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: oxalic acid; 3-[4-[(phenethylamino)methyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: oxalic acid; 3-[4-[(phenethylamino)methyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4.C2H2O4/c22-13-7-15-25-17-20(21(24-25)19-10-5-2-6-11-19)16-23-14-12-18-8-3-1-4-9-18;3-1(4)2(5)6/h1-6,8-11,17,23H,7,12,14-16H2;(H,3,4)(H,5,6)