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

Systemtic Name: 3-(3-chloranyl-1,2,4-triazol-1-yl)-N-(4-methyl-3-nitro-phenyl)adamantane-1-carboxamide Openeye Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(4-methyl-3-nitro-phenyl)adamantane-1-carboxamide CAS Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(4-methyl-3-nitrophenyl)-1-adamantanecarboxamide IUPAC Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(4-methyl-3-nitrophenyl)adamantane-1-carboxamide Traditional Name: 3-(3-chloro-1,2,4-triazol-1-yl)-N-(4-methyl-3-nitro-phenyl)adamantane-1-carboxamide Formula: C20H22ClN5O3 MolecularWeight: 415.87338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN5O3/c1-12-2-3-15(5-16(12)26(28)29)23-17(27)19-6-13-4-14(7-19)9-20(8-13,10-19)25-11-22-18(21)24-25/h2-3,5,11,13-14H,4,6-10H2,1H3,(H,23,27)