[7-chloranyl-5-(cyclobutylmethoxy)-5-(trifluoromethyl)-1,3-benzodiazepin-2-yl]cyanamide

Systemtic Name: [7-chloranyl-5-(cyclobutylmethoxy)-5-(trifluoromethyl)-1,3-benzodiazepin-2-yl]cyanamide Openeye Name: [7-chloro-5-(cyclobutylmethoxy)-5-(trifluoromethyl)-1,3-benzodiazepin-2-yl]cyanamide CAS Name: [7-chloro-5-(cyclobutylmethoxy)-5-(trifluoromethyl)-1,3-benzodiazepin-2-yl]cyanamide IUPAC Name: [7-chloro-5-(cyclobutylmethoxy)-5-(trifluoromethyl)-1,3-benzodiazepin-2-yl]cyanamide Traditional Name: [7-chloro-5-(cyclobutylmethoxy)-5-(trifluoromethyl)-1,3-benzodiazepin-2-yl]cyanamide Formula: C16H14ClF3N4O MolecularWeight: 370.75677

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)COC2(C=NC(=NC3=C2C=C(C=C3)Cl)NC#N)C(F)(F)F

Isomeric SMILES

C1CC(C1)COC2(C=NC(=NC3=C2C=C(C=C3)Cl)NC#N)C(F)(F)F

InChI

InChI=1S/C16H14ClF3N4O/c17-11-4-5-13-12(6-11)15(16(18,19)20,25-7-10-2-1-3-10)8-22-14(24-13)23-9-21/h4-6,8,10H,1-3,7H2,(H,23,24)