N-(2-methyl-5-morpholin-4-yl-4-nitro-phenyl)adamantane-1-carboxamide

Systemtic Name: N-(2-methyl-5-morpholin-4-yl-4-nitro-phenyl)adamantane-1-carboxamide Openeye Name: N-(2-methyl-5-morpholino-4-nitro-phenyl)adamantane-1-carboxamide CAS Name: N-[2-methyl-5-(4-morpholinyl)-4-nitrophenyl]-1-adamantanecarboxamide IUPAC Name: N-(2-methyl-5-morpholin-4-yl-4-nitrophenyl)adamantane-1-carboxamide Traditional Name: N-(2-methyl-5-morpholino-4-nitro-phenyl)adamantane-1-carboxamide Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O4/c1-14-6-20(25(27)28)19(24-2-4-29-5-3-24)10-18(14)23-21(26)22-11-15-7-16(12-22)9-17(8-15)13-22/h6,10,15-17H,2-5,7-9,11-13H2,1H3,(H,23,26)