2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C22H27FN4O4 MolecularWeight: 430.472583

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN4O4/c1-15-4-6-18(27(29)30)13-20(15)24-22(28)16(2)26-10-8-25(9-11-26)14-17-5-7-21(31-3)19(23)12-17/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,24,28)