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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-(4-methylpiperazin-1-yl)-5-nitro-aniline Openeye Name: N-[1-(1-adamantyl)ethyl]-2-(4-methylpiperazin-1-yl)-5-nitro-aniline CAS Name: N-[1-(1-adamantyl)ethyl]-2-(4-methyl-1-piperazinyl)-5-nitroaniline IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-(4-methylpiperazin-1-yl)-5-nitroaniline Traditional Name: 1-(1-adamantyl)ethyl-[2-(4-methylpiperazino)-5-nitro-phenyl]amine Formula: C23H34N4O2 MolecularWeight: 398.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)[N+](=O)[O-])N5CCN(CC5)C

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)[N+](=O)[O-])N5CCN(CC5)C

InChI

InChI=1S/C23H34N4O2/c1-16(23-13-17-9-18(14-23)11-19(10-17)15-23)24-21-12-20(27(28)29)3-4-22(21)26-7-5-25(2)6-8-26/h3-4,12,16-19,24H,5-11,13-15H2,1-2H3