5-(bromomethyl)-1-(4-nitrophenyl)-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one

Systemtic Name: 5-(bromomethyl)-1-(4-nitrophenyl)-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one Openeye Name: 3-benzyl-5-(bromomethyl)-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one CAS Name: 5-(bromomethyl)-1-(4-nitrophenyl)-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 3-benzyl-5-(bromomethyl)-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Traditional Name: 3-benzyl-5-(bromomethyl)-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Formula: C22H17BrN4O3 MolecularWeight: 465.29938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)N(C3=CC=CC=C3C(=N2)CBr)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)N(C3=CC=CC=C3C(=N2)CBr)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17BrN4O3/c23-14-20-19-8-4-5-9-21(19)26(17-10-12-18(13-11-17)27(29)30)22(28)25(24-20)15-16-6-2-1-3-7-16/h1-13H,14-15H2