2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-methyl-N-(4-nitrophenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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