3-(3-chloranyl-1,2,4-triazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitro-phenyl]adamantane-1-carboxamide

Systemtic Name: 3-(3-chloranyl-1,2,4-triazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitro-phenyl]adamantane-1-carboxamide Openeye Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitro-phenyl]adamantane-1-carboxamide CAS Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]-1-adamantanecarboxamide IUPAC Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]adamantane-1-carboxamide Traditional Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitro-phenyl]adamantane-1-carboxamide Formula: C26H26ClN5O4 MolecularWeight: 507.96874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)Cl

Isomeric SMILES

CC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)Cl

InChI

InChI=1S/C26H26ClN5O4/c1-16-4-2-3-5-22(16)36-21-8-19(7-20(9-21)32(34)35)29-23(33)25-10-17-6-18(11-25)13-26(12-17,14-25)31-15-28-24(27)30-31/h2-5,7-9,15,17-18H,6,10-14H2,1H3,(H,29,33)