(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-phenyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-1-(4-phenylpiperazino)prop-2-en-1-one Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)N2CCN(CC2)C3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C21H23ClN2O3/c1-26-19-15-16(14-18(22)21(19)27-2)8-9-20(25)24-12-10-23(11-13-24)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3/b9-8+