2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C21H25FN4O3 MolecularWeight: 400.446603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4O3/c1-16-3-8-19(26(28)29)13-20(16)23-21(27)15-25-10-2-9-24(11-12-25)14-17-4-6-18(22)7-5-17/h3-8,13H,2,9-12,14-15H2,1H3,(H,23,27)