[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone

Systemtic Name: [4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone Openeye Name: [4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridyl)methanone CAS Name: [4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridinyl)methanone IUPAC Name: [4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone Traditional Name: [4-(4-nitrobenzyl)-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridyl)methanone Formula: C24H24N4O4 MolecularWeight: 432.47176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O4/c29-24(22-8-4-13-25-23(22)32-21-6-2-1-3-7-21)27-15-5-14-26(16-17-27)18-19-9-11-20(12-10-19)28(30)31/h1-4,6-13H,5,14-18H2