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

Systemtic Name: [4-[(3-bromophenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[(3-bromophenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[(3-bromophenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [4-[(3-bromophenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(3-bromobenzyl)-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone Formula: C19H20BrN3O3 MolecularWeight: 418.2844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O3/c20-17-6-1-4-15(12-17)14-21-8-3-9-22(11-10-21)19(24)16-5-2-7-18(13-16)23(25)26/h1-2,4-7,12-13H,3,8-11,14H2