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

Systemtic Name: 3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide Openeye Name: 3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-N-(4-nitrophenyl)propionamide Formula: C21H25FN4O4 MolecularWeight: 416.446003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C21H25FN4O4/c1-30-20-7-2-16(14-19(20)22)15-25-12-10-24(11-13-25)9-8-21(27)23-17-3-5-18(6-4-17)26(28)29/h2-7,14H,8-13,15H2,1H3,(H,23,27)