4-[(4-fluoranyl-3-oxidanyl-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-N,N-di(propan-2-yl)benzamide

Systemtic Name: 4-[(4-fluoranyl-3-oxidanyl-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-N,N-di(propan-2-yl)benzamide Openeye Name: 4-[(4-fluoro-3-hydroxy-phenyl)-[4-(3-thienylmethyl)piperazin-1-yl]methyl]-N,N-diisopropyl-benzamide CAS Name: 4-[(4-fluoro-3-hydroxyphenyl)-[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-N,N-di(propan-2-yl)benzamide IUPAC Name: 4-[(4-fluoro-3-hydroxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]-N,N-di(propan-2-yl)benzamide Traditional Name: 4-[(4-fluoro-3-hydroxy-phenyl)-[4-(3-thenyl)piperazino]methyl]-N,N-diisopropyl-benzamide Formula: C29H36FN3O2S MolecularWeight: 509.678443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)C(C2=CC(=C(C=C2)F)O)N3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)C(C2=CC(=C(C=C2)F)O)N3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C29H36FN3O2S/c1-20(2)33(21(3)4)29(35)24-7-5-23(6-8-24)28(25-9-10-26(30)27(34)17-25)32-14-12-31(13-15-32)18-22-11-16-36-19-22/h5-11,16-17,19-21,28,34H,12-15,18H2,1-4H3