N-[4-fluoranyl-5-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]-2-nitro-phenyl]ethanamide

Systemtic Name: N-[4-fluoranyl-5-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]-2-nitro-phenyl]ethanamide Openeye Name: N-[4-fluoro-5-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methylamino]-2-nitro-phenyl]acetamide CAS Name: N-[4-fluoro-5-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methylamino]-2-nitrophenyl]acetamide IUPAC Name: N-[4-fluoro-5-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]-2-nitrophenyl]acetamide Traditional Name: N-[4-fluoro-5-[[6-(4-methylpiperazino)-3-pyridyl]methylamino]-2-nitro-phenyl]acetamide Formula: C19H23FN6O3 MolecularWeight: 402.422723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])F)NCC2=CN=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])F)NCC2=CN=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C19H23FN6O3/c1-13(27)23-17-10-16(15(20)9-18(17)26(28)29)21-11-14-3-4-19(22-12-14)25-7-5-24(2)6-8-25/h3-4,9-10,12,21H,5-8,11H2,1-2H3,(H,23,27)