(E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-1-[4-(4-methylphenyl)carbonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-1-[4-(4-methylphenyl)carbonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-1-[4-(4-methylbenzoyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-1-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-1-[4-(4-methylbenzoyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-1-(4-p-toluoylpiperazino)prop-2-en-1-one Formula: C25H29ClN2O4 MolecularWeight: 456.96176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C=CC3=CC(=C(C(=C3)Cl)OC(C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C(=C3)Cl)OC(C)C)OC

InChI

InChI=1S/C25H29ClN2O4/c1-17(2)32-24-21(26)15-19(16-22(24)31-4)7-10-23(29)27-11-13-28(14-12-27)25(30)20-8-5-18(3)6-9-20/h5-10,15-17H,11-14H2,1-4H3/b10-7+