N-[(1S)-1-(1-adamantyl)ethyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)ethyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[(1S)-1-(1-adamantyl)ethyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)ethyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)ethyl]-5-nitro-2-piperidino-benzamide Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCCC5

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCCC5

InChI

InChI=1S/C24H33N3O3/c1-16(24-13-17-9-18(14-24)11-19(10-17)15-24)25-23(28)21-12-20(27(29)30)5-6-22(21)26-7-3-2-4-8-26/h5-6,12,16-19H,2-4,7-11,13-15H2,1H3,(H,25,28)/t16-,17?,18?,19?,24?/m0/s1