(5S,7R)-3-(3-nitro-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-(3-nitro-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-(3-nitro-1,2,4-triazol-1-yl)-N-(3-pyridylmethyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-(3-nitro-1,2,4-triazol-1-yl)-N-(3-pyridinylmethyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-(3-nitro-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-(3-nitro-1,2,4-triazol-1-yl)-N-(3-pyridylmethyl)adamantane-1-carboxamide Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C19H22N6O3/c26-16(21-10-13-2-1-3-20-9-13)18-5-14-4-15(6-18)8-19(7-14,11-18)24-12-22-17(23-24)25(27)28/h1-3,9,12,14-15H,4-8,10-11H2,(H,21,26)/t14-,15+,18?,19?