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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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