[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-phenyl-methanone

Systemtic Name: [4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-(4-nitrobenzyl)-1,4-diazepan-1-yl]-phenyl-methanone Formula: C19H21N3O3 MolecularWeight: 339.38834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3/c23-19(17-5-2-1-3-6-17)21-12-4-11-20(13-14-21)15-16-7-9-18(10-8-16)22(24)25/h1-3,5-10H,4,11-15H2