[4-[1-adamantylmethyl(methyl)amino]-3-nitro-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [4-[1-adamantylmethyl(methyl)amino]-3-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: [4-[1-adamantylmethyl(methyl)amino]-3-nitro-phenyl]-morpholino-methanone CAS Name: [4-[1-adamantylmethyl(methyl)amino]-3-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [4-[1-adamantylmethyl(methyl)amino]-3-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [4-[1-adamantylmethyl(methyl)amino]-3-nitro-phenyl]-morpholino-methanone Formula: C23H31N3O4 MolecularWeight: 413.50994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC12CC3CC(C1)CC(C3)C2)C4=C(C=C(C=C4)C(=O)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CN(CC12CC3CC(C1)CC(C3)C2)C4=C(C=C(C=C4)C(=O)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C23H31N3O4/c1-24(15-23-12-16-8-17(13-23)10-18(9-16)14-23)20-3-2-19(11-21(20)26(28)29)22(27)25-4-6-30-7-5-25/h2-3,11,16-18H,4-10,12-15H2,1H3