1-[4-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[6-(4-methylpiperazino)-3-pyridyl]methylamino]-3-nitro-phenyl]ethanone Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC2=CN=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCC2=CN=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O3/c1-14(25)16-4-5-17(18(11-16)24(26)27)20-12-15-3-6-19(21-13-15)23-9-7-22(2)8-10-23/h3-6,11,13,20H,7-10,12H2,1-2H3