(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-1-(4-cyclopropylcarbonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-1-(4-cyclopropylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)-1-[4-(cyclopropanecarbonyl)piperazino]prop-2-en-1-one Formula: C20H25ClN2O4 MolecularWeight: 392.8765

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)N2CCN(CC2)C(=O)C3CC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)N2CCN(CC2)C(=O)C3CC3)OC

InChI

InChI=1S/C20H25ClN2O4/c1-3-27-19-16(21)12-14(13-17(19)26-2)4-7-18(24)22-8-10-23(11-9-22)20(25)15-5-6-15/h4,7,12-13,15H,3,5-6,8-11H2,1-2H3/b7-4+