1-(1,3-benzodioxol-5-ylmethyl)piperazine; 4-butyl-1-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazolidine-3,5-dione

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)piperazine; 4-butyl-1-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazolidine-3,5-dione Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)piperazine; 4-butyl-1-phenyl-2-(4-phenylthiazol-2-yl)pyrazolidine-3,5-dione CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)piperazine; 4-butyl-1-phenyl-2-(4-phenyl-2-thiazolyl)pyrazolidine-3,5-dione IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)piperazine; 4-butyl-1-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazolidine-3,5-dione Traditional Name: 4-butyl-1-phenyl-2-(4-phenylthiazol-2-yl)pyrazolidine-3,5-quinone; 1-piperonylpiperazine Formula: C34H37N5O4S MolecularWeight: 611.75368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(N(C1=O)C2=NC(=CS2)C3=CC=CC=C3)C4=CC=CC=C4.C1CN(CCN1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCC1C(=O)N(N(C1=O)C2=NC(=CS2)C3=CC=CC=C3)C4=CC=CC=C4.C1CN(CCN1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H21N3O2S.C12H16N2O2/c1-2-3-14-18-20(26)24(17-12-8-5-9-13-17)25(21(18)27)22-23-19(15-28-22)16-10-6-4-7-11-16;1-2-11-12(16-9-15-11)7-10(1)8-14-5-3-13-4-6-14/h4-13,15,18H,2-3,14H2,1H3;1-2,7,13H,3-6,8-9H2