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

Systemtic Name: 1-adamantyl-[4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[5-(1-azepanyl)-4-fluoro-2-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazino]methanone Formula: C27H37FN4O3 MolecularWeight: 484.606083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)[N+](=O)[O-])F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)[N+](=O)[O-])F

InChI

InChI=1S/C27H37FN4O3/c28-22-14-25(32(34)35)24(15-23(22)29-5-3-1-2-4-6-29)30-7-9-31(10-8-30)26(33)27-16-19-11-20(17-27)13-21(12-19)18-27/h14-15,19-21H,1-13,16-18H2