(E)-but-2-enedioic acid; 3-(3,4-diphenylpyrazol-1-yl)-N,N-dimethyl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3-(3,4-diphenylpyrazol-1-yl)-N,N-dimethyl-propan-1-amine Openeye Name: 3-(3,4-diphenylpyrazol-1-yl)-N,N-dimethyl-propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(3,4-diphenyl-1-pyrazolyl)-N,N-dimethyl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-(3,4-diphenylpyrazol-1-yl)-N,N-dimethylpropan-1-amine Traditional Name: 3-(3,4-diphenylpyrazol-1-yl)propyl-dimethyl-amine; fumaric acid Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCN1C=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H23N3.C4H4O4/c1-22(2)14-9-15-23-16-19(17-10-5-3-6-11-17)20(21-23)18-12-7-4-8-13-18;5-3(6)1-2-4(7)8/h3-8,10-13,16H,9,14-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+