N-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl]-1-(4-nitrophenyl)methanimine

Systemtic Name: N-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl]-1-(4-nitrophenyl)methanimine Openeye Name: 1-(4-nitrophenyl)-N-[[(5S,7R)-3-(p-tolyl)-1-adamantyl]methyl]methanimine CAS Name: N-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl]-1-(4-nitrophenyl)methanimine IUPAC Name: N-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl]-1-(4-nitrophenyl)methanimine Traditional Name: (4-nitrobenzylidene)-[[(5S,7R)-3-(p-tolyl)-1-adamantyl]methyl]amine Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CN=CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)CN=CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H28N2O2/c1-18-2-6-22(7-3-18)25-13-20-10-21(14-25)12-24(11-20,16-25)17-26-15-19-4-8-23(9-5-19)27(28)29/h2-9,15,20-21H,10-14,16-17H2,1H3/t20-,21+,24?,25?