(Z)-but-2-enedioic acid; 2-(4-chlorophenyl)-4-(dimethylamino)-2-pyridin-2-yl-butanenitrile

Systemtic Name: (Z)-but-2-enedioic acid; 2-(4-chlorophenyl)-4-(dimethylamino)-2-pyridin-2-yl-butanenitrile Openeye Name: 2-(4-chlorophenyl)-4-(dimethylamino)-2-(2-pyridyl)butanenitrile; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-(4-chlorophenyl)-4-(dimethylamino)-2-(2-pyridinyl)butanenitrile IUPAC Name: (Z)-but-2-enedioic acid; 2-(4-chlorophenyl)-4-(dimethylamino)-2-pyridin-2-ylbutanenitrile Traditional Name: 2-(4-chlorophenyl)-4-(dimethylamino)-2-(2-pyridyl)butyronitrile; maleic acid Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C#N)(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCC(C#N)(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C17H18ClN3.C4H4O4/c1-21(2)12-10-17(13-19,16-5-3-4-11-20-16)14-6-8-15(18)9-7-14;5-3(6)1-2-4(7)8/h3-9,11H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-