N-(2-adamantyl)-4-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(2-adamantyl)-4-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(2-adamantyl)-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(2-adamantyl)-4-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(2-adamantyl)-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(2-adamantyl)-4-[4-(3-fluorobenzoyl)piperazino]-3-nitro-benzamide Formula: C28H31FN4O4 MolecularWeight: 506.568543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-])C(=O)C6=CC(=CC=C6)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC3C4CC5CC(C4)CC3C5)[N+](=O)[O-])C(=O)C6=CC(=CC=C6)F

InChI

InChI=1S/C28H31FN4O4/c29-23-3-1-2-20(15-23)28(35)32-8-6-31(7-9-32)24-5-4-19(16-25(24)33(36)37)27(34)30-26-21-11-17-10-18(13-21)14-22(26)12-17/h1-5,15-18,21-22,26H,6-14H2,(H,30,34)