N-(1-adamantylmethyl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(1-adamantylmethyl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-(1-adamantylmethyl)-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-(1-adamantylmethyl)-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-(1-adamantylmethyl)-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(1-adamantylmethyl)-3-nitro-benzamide Formula: C24H32N4O4 MolecularWeight: 440.53528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C24H32N4O4/c1-16(29)26-4-6-27(7-5-26)21-3-2-20(11-22(21)28(31)32)23(30)25-15-24-12-17-8-18(13-24)10-19(9-17)14-24/h2-3,11,17-19H,4-10,12-15H2,1H3,(H,25,30)