6-azido-4-(4-bromophenyl)-1-(phenylmethyl)-1,4-diazepan-5-one

Systemtic Name: 6-azido-4-(4-bromophenyl)-1-(phenylmethyl)-1,4-diazepan-5-one Openeye Name: 6-azido-1-benzyl-4-(4-bromophenyl)-1,4-diazepan-5-one CAS Name: 6-azido-4-(4-bromophenyl)-1-(phenylmethyl)-1,4-diazepan-5-one IUPAC Name: 6-azido-1-benzyl-4-(4-bromophenyl)-1,4-diazepan-5-one Traditional Name: 6-azido-1-benzyl-4-(4-bromophenyl)-1,4-diazepan-5-one Formula: C18H18BrN5O MolecularWeight: 400.27242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(CN1CC2=CC=CC=C2)N=[N+]=[N-])C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(C(=O)C(CN1CC2=CC=CC=C2)N=[N+]=[N-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN5O/c19-15-6-8-16(9-7-15)24-11-10-23(12-14-4-2-1-3-5-14)13-17(18(24)25)21-22-20/h1-9,17H,10-13H2