(E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(2-chlorophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one Traditional Name: (E)-3-(2-chlorophenyl)-1-(4-piperonylpiperazino)prop-2-en-1-one Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN2O3/c22-18-4-2-1-3-17(18)6-8-21(25)24-11-9-23(10-12-24)14-16-5-7-19-20(13-16)27-15-26-19/h1-8,13H,9-12,14-15H2/b8-6+