1-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxy-propan-1-one

Systemtic Name: 1-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxy-1-propanone IUPAC Name: 1-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[4-(3-nitrobenzyl)-1,4-diazepan-1-yl]-2-phenoxy-propan-1-one Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-])OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-])OC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4/c1-17(28-20-9-3-2-4-10-20)21(25)23-12-6-11-22(13-14-23)16-18-7-5-8-19(15-18)24(26)27/h2-5,7-10,15,17H,6,11-14,16H2,1H3