N-[(1R)-1-(1-adamantyl)ethyl]-5-morpholin-4-yl-2-nitro-aniline

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-morpholin-4-yl-2-nitro-aniline Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-morpholino-2-nitro-aniline CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-(4-morpholinyl)-2-nitroaniline IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-morpholin-4-yl-2-nitroaniline Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(5-morpholino-2-nitro-phenyl)amine Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C22H31N3O3/c1-15(22-12-16-8-17(13-22)10-18(9-16)14-22)23-20-11-19(2-3-21(20)25(26)27)24-4-6-28-7-5-24/h2-3,11,15-18,23H,4-10,12-14H2,1H3/t15-,16?,17?,18?,22?/m1/s1