7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 2,2,2-tris(chloranyl)ethane-1,1-diol

Systemtic Name: 7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 2,2,2-tris(chloranyl)ethane-1,1-diol Openeye Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 2,2,2-trichloroethane-1,1-diol CAS Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 2,2,2-trichloroethane-1,1-diol IUPAC Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 2,2,2-trichloroethane-1,1-diol Traditional Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 2,2,2-trichloroethane-1,1-diol Formula: C18H16Cl4N2O3 MolecularWeight: 450.14324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.C(C(Cl)(Cl)Cl)(O)O

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.C(C(Cl)(Cl)Cl)(O)O

InChI

InChI=1S/C16H13ClN2O.C2H3Cl3O2/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11;3-2(4,5)1(6)7/h2-9H,10H2,1H3;1,6-7H