2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C21H25FN4O3 MolecularWeight: 400.446603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4O3/c1-16-19(4-2-5-20(16)26(28)29)23-21(27)15-25-11-3-10-24(12-13-25)14-17-6-8-18(22)9-7-17/h2,4-9H,3,10-15H2,1H3,(H,23,27)