[4-(diphenylmethyl)piperazin-1-yl]-[3-(4-fluoranyl-2-nitro-phenoxy)thiophen-2-yl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-1-yl]-[3-(4-fluoranyl-2-nitro-phenoxy)thiophen-2-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-[3-(4-fluoro-2-nitro-phenoxy)-2-thienyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazinyl]-[3-(4-fluoro-2-nitrophenoxy)-2-thiophenyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-[3-(4-fluoro-2-nitrophenoxy)thiophen-2-yl]methanone Traditional Name: (4-benzhydrylpiperazino)-[3-(4-fluoro-2-nitro-phenoxy)-2-thienyl]methanone Formula: C28H24FN3O4S MolecularWeight: 517.571263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C(C=CS4)OC5=C(C=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C(C=CS4)OC5=C(C=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C28H24FN3O4S/c29-22-11-12-24(23(19-22)32(34)35)36-25-13-18-37-27(25)28(33)31-16-14-30(15-17-31)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-13,18-19,26H,14-17H2