N-[4-fluoranyl-2-nitro-5-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]phenyl]ethanamide

Systemtic Name: N-[4-fluoranyl-2-nitro-5-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]phenyl]ethanamide Openeye Name: N-[5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-fluoro-2-nitro-phenyl]acetamide CAS Name: N-[4-fluoro-2-nitro-5-[2-[4-(phenylmethyl)-1-piperazinyl]ethylamino]phenyl]acetamide IUPAC Name: N-[5-[2-(4-benzylpiperazin-1-yl)ethylamino]-4-fluoro-2-nitrophenyl]acetamide Traditional Name: N-[5-[2-(4-benzylpiperazino)ethylamino]-4-fluoro-2-nitro-phenyl]acetamide Formula: C21H26FN5O3 MolecularWeight: 415.461243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])F)NCCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])F)NCCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26FN5O3/c1-16(28)24-20-14-19(18(22)13-21(20)27(29)30)23-7-8-25-9-11-26(12-10-25)15-17-5-3-2-4-6-17/h2-6,13-14,23H,7-12,15H2,1H3,(H,24,28)