(5S,7R)-N-(2-cyanoethyl)-3-(4-nitrophenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-(2-cyanoethyl)-3-(4-nitrophenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(2-cyanoethyl)-3-(4-nitrophenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-N-(2-cyanoethyl)-3-(4-nitrophenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(2-cyanoethyl)-3-(4-nitrophenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-N-(2-cyanoethyl)-3-(4-nitrophenyl)adamantane-1-carboxamide Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)NCCC#N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)C(=O)NCCC#N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3/c21-6-1-7-22-18(24)20-11-14-8-15(12-20)10-19(9-14,13-20)16-2-4-17(5-3-16)23(25)26/h2-5,14-15H,1,7-13H2,(H,22,24)/t14-,15+,19?,20?