(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-piperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-piperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-piperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-piperazino)prop-2-en-1-one Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)C=CC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)/C=C/C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C21H21ClN2O3/c1-23-9-10-24(18(13-23)16-5-3-2-4-6-16)20(25)8-7-15-11-17(22)21-19(12-15)26-14-27-21/h2-8,11-12,18H,9-10,13-14H2,1H3/b8-7+