N-(1-adamantyl)-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(1-adamantyl)-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(1-adamantyl)-4-[4-(2-furoyl)piperazino]-3-nitro-benzamide Formula: C26H30N4O5 MolecularWeight: 478.5402

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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=CO6

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])C(=O)C6=CC=CO6

InChI

InChI=1S/C26H30N4O5/c31-24(27-26-14-17-10-18(15-26)12-19(11-17)16-26)20-3-4-21(22(13-20)30(33)34)28-5-7-29(8-6-28)25(32)23-2-1-9-35-23/h1-4,9,13,17-19H,5-8,10-12,14-16H2,(H,27,31)