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

Systemtic Name: N-(1-adamantyl)-4-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(1-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)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])C(=O)C6=CC(=CC=C6)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])C(=O)C6=CC(=CC=C6)F

InChI

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