(5S,7R)-3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)adamantane-1-carboxamide Formula: C21H24BrN5O4 MolecularWeight: 490.35036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)N5C=NC(=N5)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H24BrN5O4/c1-2-31-15-3-4-16(17(6-15)27(29)30)24-18(28)20-7-13-5-14(8-20)10-21(9-13,11-20)26-12-23-19(22)25-26/h3-4,6,12-14H,2,5,7-11H2,1H3,(H,24,28)/t13-,14+,20?,21?