4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 2-(4-chloranylphenoxy)-N-(2-diethylaminoethyl)ethanamide; dihydrate

Systemtic Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 2-(4-chloranylphenoxy)-N-(2-diethylaminoethyl)ethanamide; dihydrate Openeye Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)acetamide; dihydrate CAS Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)acetamide; dihydrate IUPAC Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)acetamide; dihydrate Traditional Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-quinone; 2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)acetamide; dihydrate Formula: C33H45ClN4O6 MolecularWeight: 629.1866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.CCN(CC)CCNC(=O)COC1=CC=C(C=C1)Cl.O.O

Isomeric SMILES

CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.CCN(CC)CCNC(=O)COC1=CC=C(C=C1)Cl.O.O

InChI

InChI=1S/C19H20N2O2.C14H21ClN2O2.2H2O/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13;;/h4-13,17H,2-3,14H2,1H3;5-8H,3-4,9-11H2,1-2H3,(H,16,18);2*1H2