3-(1,3-benzodioxol-5-yl)-1-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-chlorobenzoyl)piperazino]propan-1-one Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O4/c22-17-5-3-16(4-6-17)21(26)24-11-9-23(10-12-24)20(25)8-2-15-1-7-18-19(13-15)28-14-27-18/h1,3-7,13H,2,8-12,14H2