N-[1-(1-adamantyl)ethyl]-2-nitro-4-piperazin-1-yl-aniline

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-nitro-4-piperazin-1-yl-aniline Openeye Name: N-[1-(1-adamantyl)ethyl]-2-nitro-4-piperazin-1-yl-aniline CAS Name: N-[1-(1-adamantyl)ethyl]-2-nitro-4-(1-piperazinyl)aniline IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-nitro-4-piperazin-1-ylaniline Traditional Name: 1-(1-adamantyl)ethyl-(2-nitro-4-piperazino-phenyl)amine Formula: C22H32N4O2 MolecularWeight: 384.51508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=C(C=C4)N5CCNCC5)[N+](=O)[O-]

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=C(C=C4)N5CCNCC5)[N+](=O)[O-]

InChI

InChI=1S/C22H32N4O2/c1-15(22-12-16-8-17(13-22)10-18(9-16)14-22)24-20-3-2-19(11-21(20)26(27)28)25-6-4-23-5-7-25/h2-3,11,15-18,23-24H,4-10,12-14H2,1H3