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

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methyl-2-nitro-phenyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-N-(4-methyl-2-nitro-phenyl)acetamide Formula: C22H25N5O3 MolecularWeight: 407.4656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3/c1-17-3-8-20(21(13-17)27(29)30)24-22(28)16-26-10-2-9-25(11-12-26)15-19-6-4-18(14-23)5-7-19/h3-8,13H,2,9-12,15-16H2,1H3,(H,24,28)