(Z)-but-2-enedioate; 4-methyl-5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole

Systemtic Name: (Z)-but-2-enedioate; 4-methyl-5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole Openeye Name: (Z)-but-2-enedioate; 4-methyl-5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole CAS Name: (Z)-2-butenedioate; 4-methyl-5-phenyl-3-[2-(1-pyrrolidinyl)ethoxy]-1H-pyrazole IUPAC Name: (Z)-but-2-enedioate; 4-methyl-5-phenyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyrazole Traditional Name: 4-methyl-5-phenyl-3-(2-pyrrolidinoethoxy)-1H-pyrazole maleate Formula: C20H23N3O5-2 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=C1OCCN2CCCC2)C3=CC=CC=C3.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(NN=C1OCCN2CCCC2)C3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C16H21N3O.C4H4O4/c1-13-15(14-7-3-2-4-8-14)17-18-16(13)20-12-11-19-9-5-6-10-19;5-3(6)1-2-4(7)8/h2-4,7-8H,5-6,9-12H2,1H3,(H,17,18);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-