(4Z)-4-[[3-methyl-2-(2-piperidin-1-ylethoxy)-4-propoxy-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione hydrochloride

Systemtic Name: (4Z)-4-[[3-methyl-2-(2-piperidin-1-ylethoxy)-4-propoxy-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione hydrochloride Openeye Name: (4Z)-4-[[3-methyl-2-[2-(1-piperidyl)ethoxy]-4-propoxy-phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione hydrochloride CAS Name: (4Z)-4-[[3-methyl-2-[2-(1-piperidinyl)ethoxy]-4-propoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione hydrochloride IUPAC Name: (4Z)-4-[[3-methyl-2-(2-piperidin-1-ylethoxy)-4-propoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione hydrochloride Traditional Name: (4Z)-4-[3-methyl-2-(2-piperidinoethoxy)-4-propoxy-benzylidene]-1-phenyl-pyrazolidine-3,5-quinone hydrochloride Formula: C27H34ClN3O4 MolecularWeight: 500.02956

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OCCN4CCCCC4)C.Cl

Isomeric SMILES

CCCOC1=C(C(=C(C=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=CC=C3)OCCN4CCCCC4)C.Cl

InChI

InChI=1S/C27H33N3O4.ClH/c1-3-17-33-24-13-12-21(25(20(24)2)34-18-16-29-14-8-5-9-15-29)19-23-26(31)28-30(27(23)32)22-10-6-4-7-11-22;/h4,6-7,10-13,19H,3,5,8-9,14-18H2,1-2H3,(H,28,31);1H/b23-19-;