N-[1-(1-adamantyl)ethyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[1-(1-adamantyl)ethyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[1-(1-adamantyl)ethyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[1-(1-adamantyl)ethyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(C)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(C)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C25H35N3O3/c1-16-5-7-27(8-6-16)22-4-3-21(12-23(22)28(30)31)24(29)26-17(2)25-13-18-9-19(14-25)11-20(10-18)15-25/h3-4,12,16-20H,5-11,13-15H2,1-2H3,(H,26,29)