N-(3-fluoranyl-4-methyl-phenyl)-4-[3-[methyl-(phenylmethyl)amino]propylamino]-3-nitro-benzamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-[3-[methyl-(phenylmethyl)amino]propylamino]-3-nitro-benzamide Openeye Name: 4-[3-[benzyl(methyl)amino]propylamino]-N-(3-fluoro-4-methyl-phenyl)-3-nitro-benzamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-[3-[methyl-(phenylmethyl)amino]propylamino]-3-nitrobenzamide IUPAC Name: 4-[3-[benzyl(methyl)amino]propylamino]-N-(3-fluoro-4-methylphenyl)-3-nitrobenzamide Traditional Name: 4-[3-[benzyl(methyl)amino]propylamino]-N-(3-fluoro-4-methyl-phenyl)-3-nitro-benzamide Formula: C25H27FN4O3 MolecularWeight: 450.505283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCCN(C)CC3=CC=CC=C3)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCCN(C)CC3=CC=CC=C3)[N+](=O)[O-])F

InChI

InChI=1S/C25H27FN4O3/c1-18-9-11-21(16-22(18)26)28-25(31)20-10-12-23(24(15-20)30(32)33)27-13-6-14-29(2)17-19-7-4-3-5-8-19/h3-5,7-12,15-16,27H,6,13-14,17H2,1-2H3,(H,28,31)