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

Systemtic Name: 1-(4-nitrophenyl)-5-phenyl-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one Openeye Name: 3-benzyl-1-(4-nitrophenyl)-5-phenyl-1,3,4-benzotriazepin-2-one CAS Name: 1-(4-nitrophenyl)-5-phenyl-3-(phenylmethyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 3-benzyl-1-(4-nitrophenyl)-5-phenyl-1,3,4-benzotriazepin-2-one Traditional Name: 3-benzyl-1-(4-nitrophenyl)-5-phenyl-1,3,4-benzotriazepin-2-one Formula: C27H20N4O3 MolecularWeight: 448.4727

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H20N4O3/c32-27-29(19-20-9-3-1-4-10-20)28-26(21-11-5-2-6-12-21)24-13-7-8-14-25(24)30(27)22-15-17-23(18-16-22)31(33)34/h1-18H,19H2