N-[1-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-4-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-4-yl]adamantane-1-carboxamide Openeye Name: N-[1-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]-4-piperidyl]adamantane-1-carboxamide CAS Name: N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-4-piperidinyl]-1-adamantanecarboxamide IUPAC Name: N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]adamantane-1-carboxamide Traditional Name: N-[1-[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]-4-piperidyl]adamantane-1-carboxamide Formula: C25H34N4O5 MolecularWeight: 470.56126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)NC(=O)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C25H34N4O5/c1-34-20-2-3-21(22(11-20)29(32)33)27-23(30)15-28-6-4-19(5-7-28)26-24(31)25-12-16-8-17(13-25)10-18(9-16)14-25/h2-3,11,16-19H,4-10,12-15H2,1H3,(H,26,31)(H,27,30)