1-[4-[4-(4-methylpiperazin-1-yl)butylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(4-methylpiperazin-1-yl)butylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(4-methylpiperazin-1-yl)butylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(4-methyl-1-piperazinyl)butylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(4-methylpiperazin-1-yl)butylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(4-methylpiperazino)butylamino]-3-nitro-phenyl]ethanone Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCCCCN2CCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCCCCN2CCN(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O3/c1-14(22)15-5-6-16(17(13-15)21(23)24)18-7-3-4-8-20-11-9-19(2)10-12-20/h5-6,13,18H,3-4,7-12H2,1-2H3