2-(1-adamantyl)-1-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-[3-(allylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-[4-nitro-3-(prop-2-enylamino)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-[3-(allylamino)-4-nitro-phenyl]piperazino]ethanone Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C25H34N4O3/c1-2-5-26-22-13-21(3-4-23(22)29(31)32)27-6-8-28(9-7-27)24(30)17-25-14-18-10-19(15-25)12-20(11-18)16-25/h2-4,13,18-20,26H,1,5-12,14-17H2