N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]propanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]propanamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propanamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]propionamide Formula: C23H29FN4O4 MolecularWeight: 444.499163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)CC3=CC(=C(C=C3)OC)F)C

InChI

InChI=1S/C23H29FN4O4/c1-15-5-7-20(28(30)31)22(16(15)2)25-23(29)17(3)27-11-9-26(10-12-27)14-18-6-8-21(32-4)19(24)13-18/h5-8,13,17H,9-12,14H2,1-4H3,(H,25,29)