[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-phenylthiazol-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2-phenyl-4-thiazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone Traditional Name: (2-phenylthiazol-4-yl)-(4-piperonylpiperazino)methanone Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N3O3S/c26-22(18-14-29-21(23-18)17-4-2-1-3-5-17)25-10-8-24(9-11-25)13-16-6-7-19-20(12-16)28-15-27-19/h1-7,12,14H,8-11,13,15H2