N-[(1S)-1-(1-adamantyl)-2-oxidanylidene-2-pyrrolidin-1-yl-ethyl]-4-nitro-benzamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-oxidanylidene-2-pyrrolidin-1-yl-ethyl]-4-nitro-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-nitro-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-oxo-2-(1-pyrrolidinyl)ethyl]-4-nitrobenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-oxo-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-keto-2-pyrrolidino-ethyl]-4-nitro-benzamide Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)[C@H](C23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O4/c27-21(18-3-5-19(6-4-18)26(29)30)24-20(22(28)25-7-1-2-8-25)23-12-15-9-16(13-23)11-17(10-15)14-23/h3-6,15-17,20H,1-2,7-14H2,(H,24,27)/t15?,16?,17?,20-,23?/m1/s1