(1Z,2E)-3,8-diphenyl-5-(3-phenyl-1,2-oxazol-5-yl)-5,6-dihydro-4H-1,2-diazocin-7-one

Systemtic Name: (1Z,2E)-3,8-diphenyl-5-(3-phenyl-1,2-oxazol-5-yl)-5,6-dihydro-4H-1,2-diazocin-7-one Openeye Name: (1Z,2E)-3,8-diphenyl-5-(3-phenylisoxazol-5-yl)-5,6-dihydro-4H-diazocin-7-one CAS Name: (1Z,2E)-3,8-diphenyl-5-(3-phenyl-5-isoxazolyl)-5,6-dihydro-4H-diazocin-7-one IUPAC Name: (1Z,2E)-3,8-diphenyl-5-(3-phenyl-1,2-oxazol-5-yl)-5,6-dihydro-4H-diazocin-7-one Traditional Name: (1Z,2E)-3,8-diphenyl-5-(3-phenylisoxazol-5-yl)-5,6-dihydro-4H-diazocin-7-one Formula: C27H21N3O2 MolecularWeight: 419.47454

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=NN=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=NO4)C5=CC=CC=C5

Isomeric SMILES

C\1C(CC(=O)/C(=N\N=C1\C2=CC=CC=C2)/C3=CC=CC=C3)C4=CC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O2/c31-25-17-22(26-18-24(30-32-26)20-12-6-2-7-13-20)16-23(19-10-4-1-5-11-19)28-29-27(25)21-14-8-3-9-15-21/h1-15,18,22H,16-17H2/b28-23+,29-27-