[4-fluoranyl-3-(phenoxymethyl)-1-benzothiophen-2-yl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: [4-fluoranyl-3-(phenoxymethyl)-1-benzothiophen-2-yl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: [4-fluoro-3-(phenoxymethyl)benzothiophen-2-yl]-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: [4-fluoro-3-(phenoxymethyl)-1-benzothiophen-2-yl]-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [4-fluoro-3-(phenoxymethyl)-1-benzothiophen-2-yl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: [4-fluoro-3-(phenoxymethyl)benzothiophen-2-yl]-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C25H21FN4O4S MolecularWeight: 492.522043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C4=C(C=CC=C4S3)F)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C4=C(C=CC=C4S3)F)COC5=CC=CC=C5

InChI

InChI=1S/C25H21FN4O4S/c26-20-7-4-8-21-23(20)19(16-34-18-5-2-1-3-6-18)24(35-21)25(31)29-13-11-28(12-14-29)17-9-10-22(27-15-17)30(32)33/h1-10,15H,11-14,16H2