N-(1,3-benzodioxol-5-yl)-3-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[4-(2,4-dichlorobenzoyl)piperazino]propionamide Formula: C21H21Cl2N3O4 MolecularWeight: 450.31514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O4/c22-14-1-3-16(17(23)11-14)21(28)26-9-7-25(8-10-26)6-5-20(27)24-15-2-4-18-19(12-15)30-13-29-18/h1-4,11-12H,5-10,13H2,(H,24,27)