7-chloranyl-5-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-5-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Openeye Name: 7-chloro-5-(2-pyridylmethoxy)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one CAS Name: 7-chloro-5-(2-pyridinylmethoxy)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one IUPAC Name: 7-chloro-5-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Traditional Name: 7-chloro-5-(2-pyridylmethoxy)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Formula: C16H11ClF3N3O2 MolecularWeight: 369.72565

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)COC2(C=NC(=O)NC3=C2C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)COC2(C=NC(=O)NC3=C2C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C16H11ClF3N3O2/c17-10-4-5-13-12(7-10)15(16(18,19)20,9-22-14(24)23-13)25-8-11-3-1-2-6-21-11/h1-7,9H,8H2,(H,23,24)