N-(1-adamantylmethyl)-5-morpholin-4-yl-2-nitro-benzamide

Systemtic Name: N-(1-adamantylmethyl)-5-morpholin-4-yl-2-nitro-benzamide Openeye Name: N-(1-adamantylmethyl)-5-morpholino-2-nitro-benzamide CAS Name: N-(1-adamantylmethyl)-5-(4-morpholinyl)-2-nitrobenzamide IUPAC Name: N-(1-adamantylmethyl)-5-morpholin-4-yl-2-nitrobenzamide Traditional Name: N-(1-adamantylmethyl)-5-morpholino-2-nitro-benzamide Formula: C22H29N3O4 MolecularWeight: 399.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3O4/c26-21(23-14-22-11-15-7-16(12-22)9-17(8-15)13-22)19-10-18(1-2-20(19)25(27)28)24-3-5-29-6-4-24/h1-2,10,15-17H,3-9,11-14H2,(H,23,26)