3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyl-adamantane-1-carboxamide

Systemtic Name: 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyl-adamantane-1-carboxamide Openeye Name: 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyl-adamantane-1-carboxamide CAS Name: 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyl-1-adamantanecarboxamide IUPAC Name: 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyladamantane-1-carboxamide Traditional Name: 3-(3-nitro-1,2,4-triazol-1-yl)-N-phenyl-adamantane-1-carboxamide Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C19H21N5O3/c25-16(21-15-4-2-1-3-5-15)18-7-13-6-14(8-18)10-19(9-13,11-18)23-12-20-17(22-23)24(26)27/h1-5,12-14H,6-11H2,(H,21,25)