N-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]morpholine-4-carboxamide

Systemtic Name: N-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]morpholine-4-carboxamide Openeye Name: N-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]morpholine-4-carboxamide CAS Name: N-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]-4-morpholinecarboxamide IUPAC Name: N-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]morpholine-4-carboxamide Traditional Name: N-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]morpholine-4-carboxamide Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)NCC23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)NCC23C[C@H]4C[C@@H](C2)CC(C4)(C3)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O4/c26-20(24-5-7-29-8-6-24)23-15-21-10-16-9-17(11-21)13-22(12-16,14-21)18-1-3-19(4-2-18)25(27)28/h1-4,16-17H,5-15H2,(H,23,26)/t16-,17+,21?,22?