(Z)-but-2-enedioic acid; 5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole

Systemtic Name: (Z)-but-2-enedioic acid; 5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole Openeye Name: 5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole; maleic acid CAS Name: (Z)-2-butenedioic acid; 5-(4-chlorophenyl)-3-[2-(1-pyrrolidinyl)ethoxy]-1H-pyrazole IUPAC Name: (Z)-but-2-enedioic acid; 5-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole Traditional Name: 5-(4-chlorophenyl)-3-(2-pyrrolidinoethoxy)-1H-pyrazole; maleic acid Formula: C19H22ClN3O5 MolecularWeight: 407.84808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=NNC(=C2)C3=CC=C(C=C3)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)CCOC2=NNC(=C2)C3=CC=C(C=C3)Cl.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C15H18ClN3O.C4H4O4/c16-13-5-3-12(4-6-13)14-11-15(18-17-14)20-10-9-19-7-1-2-8-19;5-3(6)1-2-4(7)8/h3-6,11H,1-2,7-10H2,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1-