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

Systemtic Name: N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(1-adamantyl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C23H31N3O3/c1-15-4-6-25(7-5-15)20-3-2-19(11-21(20)26(28)29)22(27)24-23-12-16-8-17(13-23)10-18(9-16)14-23/h2-3,11,15-18H,4-10,12-14H2,1H3,(H,24,27)