(E)-1-[3-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)-1-oxidanyl-propan-2-yl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[3-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)-1-oxidanyl-propan-2-yl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[3-[2-hydroxy-1-methyl-2-(2-methyl-2,3-dihydrobenzothiophen-5-yl)ethyl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[3-[1-hydroxy-1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)propan-2-yl]-1-piperazinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[3-[1-hydroxy-1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)propan-2-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[3-[2-hydroxy-1-methyl-2-(2-methyl-2,3-dihydrobenzothiophen-5-yl)ethyl]piperazino]-3-phenyl-prop-2-en-1-one Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(S1)C=CC(=C2)C(C(C)C3CN(CCN3)C(=O)C=CC4=CC=CC=C4)O

Isomeric SMILES

CC1CC2=C(S1)C=CC(=C2)C(C(C)C3CN(CCN3)C(=O)/C=C/C4=CC=CC=C4)O

InChI

InChI=1S/C25H30N2O2S/c1-17-14-21-15-20(9-10-23(21)30-17)25(29)18(2)22-16-27(13-12-26-22)24(28)11-8-19-6-4-3-5-7-19/h3-11,15,17-18,22,25-26,29H,12-14,16H2,1-2H3/b11-8+