N-(3-acetamido-4-fluoranyl-phenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(3-acetamido-4-fluorophenyl)-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C20H22FN5O4 MolecularWeight: 415.418183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN5O4/c1-13(27)22-17-12-15(4-5-16(17)21)23-20(28)14-3-6-18(19(11-14)26(29)30)25-9-7-24(2)8-10-25/h3-6,11-12H,7-10H2,1-2H3,(H,22,27)(H,23,28)