[4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[5-(1-azepanyl)-4-fluoro-2-nitrophenyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazino]-(2-thienyl)methanone Formula: C21H25FN4O3S MolecularWeight: 432.511603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)[O-])F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)[O-])F

InChI

InChI=1S/C21H25FN4O3S/c22-16-14-19(26(28)29)18(15-17(16)23-7-3-1-2-4-8-23)24-9-11-25(12-10-24)21(27)20-6-5-13-30-20/h5-6,13-15H,1-4,7-12H2