(E)-3-(4-butoxy-3-methoxy-phenyl)-1-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-butoxy-3-methoxy-phenyl)-1-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-butoxy-3-methoxy-phenyl)-1-[4-(4-chlorobenzoyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-butoxy-3-methoxyphenyl)-1-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-butoxy-3-methoxyphenyl)-1-[4-(4-chlorobenzoyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-butoxy-3-methoxy-phenyl)-1-[4-(4-chlorobenzoyl)piperazino]prop-2-en-1-one Formula: C25H29ClN2O4 MolecularWeight: 456.96176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C25H29ClN2O4/c1-3-4-17-32-22-11-5-19(18-23(22)31-2)6-12-24(29)27-13-15-28(16-14-27)25(30)20-7-9-21(26)10-8-20/h5-12,18H,3-4,13-17H2,1-2H3/b12-6+