(9aS)-7-bromanyl-5-phenyl-1,3,5a,9a-tetrahydro-1,4-benzodiazepin-2-one

Systemtic Name: (9aS)-7-bromanyl-5-phenyl-1,3,5a,9a-tetrahydro-1,4-benzodiazepin-2-one Openeye Name: (9aS)-7-bromo-5-phenyl-1,3,5a,9a-tetrahydro-1,4-benzodiazepin-2-one CAS Name: (9aS)-7-bromo-5-phenyl-1,3,5a,9a-tetrahydro-1,4-benzodiazepin-2-one IUPAC Name: (9aS)-7-bromo-5-phenyl-1,3,5a,9a-tetrahydro-1,4-benzodiazepin-2-one Traditional Name: (9aS)-7-bromo-5-phenyl-1,3,5a,9a-tetrahydro-1,4-benzodiazepin-2-one Formula: C15H13BrN2O MolecularWeight: 317.18052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2C=CC(=CC2C(=N1)C3=CC=CC=C3)Br

Isomeric SMILES

C1C(=O)N[C@H]2C=CC(=CC2C(=N1)C3=CC=CC=C3)Br

InChI

InChI=1S/C15H13BrN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H,18,19)/t12?,13-/m0/s1